11-Formyllinderazulene
Basic information
- CAS
835629-54-4- Standard SMILES
Cc1cc2occ(C)c2cc2c(C=O)ccc1-2- InChIKey
FBLXVRUJNOWDFB-UHFFFAOYSA-N- Molecular formula
- C15H12O2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.08372962
Overview
cytotoxic linderazulene from a deep-sea gorgonian of the genus Paramuricea; structure in first source
Names & identifiers
- Preferred name
- 11-Formyllinderazulene
- IUPAC
- 1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde
Names & synonyms
1,5-dimethylazuleno[6,7-b]furan-8-carbaldehyde1,5-dimethylazuleno(6,7-b)furan-8-carbaldehyde11-formyllinderazuleneRefChem:77857azuleno[6,5-b]furan-5-carboxaldehyde, 3,8-dimethyl-835629-54-4CHEMBL508813DTXSID403496273,8-Dimethylazuleno[6,5-b]furan-5-carbaldehydeAzuleno[6,5-b]furan-5-carboxaldehyde, 3,8-dimethyl- (9CI)
Database identifiers
- CAS
835629-54-4- PubChem CID
- 656395
- DTXSID
DTXSID40349627- ChEMBL
CHEMBL508813
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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