(+)-Geodin structure
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Common Name | (+)-Geodin | ||
|---|---|---|---|---|
| CAS Number | 427-63-4 | Molecular Weight | 399.17900 | |
| Density | 1.61g/cm3 | Boiling Point | 652.1ºC at 760 mmHg | |
| Molecular Formula | C17H12Cl2O7 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 348.2ºC | |
Use of (+)-GeodinGeodin, a fungal metabolite, shows antibacterial activity. Geodin also is an inhibitor of plasminogen activator inhibitor- 1 (PAI-1)[1]. |
Summary: (+)-Geodin, also known as methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate, is a fungal metabolite with a CAS number of 427-63-4 and a molecular formula of C17H12Cl2O7. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Geodin, a fungal metabolite, shows antibacterial activity. Geodin also is an inhibitor of plasminogen activator inhibitor- 1 (PAI-1)[1]. |
|---|---|
| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.61g/cm3 |
|---|---|
| Boiling Point | 652.1ºC at 760 mmHg |
| Molecular Formula | C17H12Cl2O7 |
| Molecular Weight | 399.17900 |
| Flash Point | 348.2ºC |
| Exact Mass | 397.99600 |
| PSA | 99.13000 |
| LogP | 2.53370 |
| Vapour Pressure | 1.32E-17mmHg at 25°C |
| Index of Refraction | 1.647 |
| InChIKey | LUBKKVGXMXTXOZ-UHFFFAOYSA-N |
| SMILES | COC(=O)C1=CC(=O)C=C(OC)C12Oc1c(Cl)c(C)c(Cl)c(O)c1C2=O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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(+)-Geodin CAS#:427-63-4 |
| Literature: Fujii; Iijima; Ebizuka; Sankawa Chemical and Pharmaceutical Bulletin, 1983 , vol. 31, # 1 p. 337 - 340 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antifungal activity against Trichophyton rubrum IBT 29284 at 50 uM after 7 days by mi...
Source: ChEMBL
Target: Trichophyton rubrum
External Id: CHEMBL1960335
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Name: Antifungal activity against Trichophyton mentagrophytes IBT 2724 at 50 uM after 7 day...
Source: ChEMBL
Target: Trichophyton mentagrophytes
External Id: CHEMBL1960334
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Name: Ratio of griseofulvin IC50 to compound IC50 for human MDA-MB-231 cells
Source: ChEMBL
Target: MDA-MB-231
External Id: CHEMBL1960336
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Geodin |
| Erdin (+)-form methyl ester |
| Estin |
| methyl 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-3h-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate |
| AmbotzLS-1134 |
| d-Geodin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate? |
| A: Boiling point of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate is 652.1ºC at 760 mmHg. |
| Q: What is the CAS number of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate? |
| A: CAS number of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate is 427-63-4. |
| Q: What English synonyms does methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate have? |
| A: English synonyms of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate: Geodin, Erdin (+)-form methyl ester, Estin, methyl 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-3h-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate, AmbotzLS-1134, d-Geodin. |
| Q: What are the uses of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate? |
| A: Main uses of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate: Geodin, a fungal metabolite, shows antibacterial activity. Geodin also is an inhibitor of plasminogen activator inhibitor- 1 (PAI-1)[1]. |
| Q: What is the polar surface area (PSA) of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate? |
| A: Polar surface area (PSA) of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate is 99.13000. |
| Q: What are the upstream materials of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate? |
| A: Related upstream materials(CAS) of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate: 2151-16-8. |
| Q: What is the molecular weight of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate? |
| A: Molecular weight of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate is 399.17900. |
| Q: What is the molecular formula of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate? |
| A: Molecular formula of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate is C17H12Cl2O7. |
| Q: What is the English name of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate? |
| A: The English name of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate is methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate. |
| Q: What is the SMILES notation of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate? |
| A: SMILES notation of methyl 5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate is COC(=O)C1=CC(=O)C=C(OC)C12Oc1c(Cl)c(C)c(Cl)c(O)c1C2=O. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |