Basic information
- CAS
835629-53-3- Standard SMILES
COC(=O)c1ccc2c(C)cc3occ(C)c3cc1-2- InChIKey
IRGLEIHRANDEHS-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Overview
cytotoxic linderazulene from a deep-sea gorgonian of the genus Paramuricea; structure in first source
Names & identifiers
- Preferred name
- 11-Carbomethoxylinderazulene
- IUPAC
- methyl 1,5-dimethylazuleno[6,7-b]furan-8-carboxylate
Names & synonyms
11-carbomethoxylinderazuleneRefChem:77792methyl 1,5-dimethylazuleno(6,7-b)furan-8-carboxylate835629-53-3azuleno[6,5-b]furan-5-carboxylic acid, 3,8-dimethyl-, methyl esterCHEMBL497241DTXSID80349626METHYL 3,8-DIMETHYLAZULENO[6,5-B]FURAN-5-CARBOXYLATEAzuleno[6,5-b]furan-5-carboxylic acid, 3,8-dimethyl-, methyl ester (9CI)
Database identifiers
- CAS
835629-53-3- PubChem CID
- 656394
- DTXSID
DTXSID80349626- ChEMBL
CHEMBL497241- Nikkaji
- J2.159.120C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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