Basic information
- CAS
6879-81-8- Standard SMILES
COc1cc2c(cc1O)C(=O)O[C@@H]1CC=C3CCN(C)[C@H]3[C@H]21- InChIKey
VLDOBKJPRUQEEC-FVQBIDKESA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Overview
9-O-Demethylhomolycorine is an alkaloid.
Names & identifiers
- Preferred name
- (5aR,11bS,11cS)-2,3,5,5a,11b,11c-Hexahydro-9-hydroxy-10-methoxy-1-methyl(2)benzopyrano(3,4-g)indol-7(1H)-one
- IUPAC
- (5aR,11bS,11cS)-9-hydroxy-10-methoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one
Names & synonyms
9-O-Demethylhomolycorine6879-81-8RefChem:1050606(5aR,11bS,11cS)-2,3,5,5a,11b,11c-Hexahydro-9-hydroxy-10-methoxy-1-methyl(2)benzopyrano(3,4-g)indol-7(1H)-one(5aR,11bS,11cS)-9-hydroxy-10-methoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one9-hydroxy-10-methoxy-1-methyllycorenan-7-oneLycorenan-7-one, 9-hydroxy-10-methoxy-1-methyl-C12190CHEMBL1979251CHEBI:31154DTXSID90988500NSC683872
Show more names
NSC-683872NCI60_030153Q27114182
Database identifiers
- CAS
6879-81-8- PubChem CID
- 388787
- DTXSID
DTXSID90988500- ChEMBL
CHEMBL1979251- ChEBI
CHEBI:31154- Nikkaji
- J406.762B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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