Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-
Basic information
- CAS
47477-04-3- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](N)CC2- InChIKey
NLJVJPAFJAGEPD-AWEZNQCLSA-N- Molecular formula
- C20H23NO5
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.15762283
Names & identifiers
- Preferred name
- Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-
- IUPAC
- (7S)-7-amino-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one
Names & synonyms
Deacetylisocolchicine47477-04-3Isocolchicine, N-deacetyl-Benzo(a)heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-DTXSID30197154Benzo[a]heptalen-10(5H)-one, 7-amino-6,7-dihydro-1,2,3,9-tetramethoxy-, (S)-RefChem:326066DTXCID40119645N-Deacetylisocolchicine(7S)-7-amino-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-oneCHEMBL465446orb1986219
Show more names
AKOS040751430T31244(7S)-7-Amino-1,2,3,9-tetramethoxy-6,7-dihydrobenzo[a]heptalen-10(5H)-one
Database identifiers
- CAS
47477-04-3- PubChem CID
- 327341
- DTXSID
DTXSID30197154- ChEMBL
CHEMBL465446
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 638
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Compound notes
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