Ancistrocongoline D
Basic information
- CAS
455255-22-8- Standard SMILES
COc1c(-c2c(C)cc(OC)c3c(OC)cccc23)c(O)cc2c1[C@@H](C)N[C@H](C)C2- InChIKey
RPYYNECGOSGRFR-HUUCEWRRSA-N- Molecular formula
- C25H29NO4
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.20965841
Overview
Ancistrocongoline D has been reported in Ancistrocladus congolensis with data available.
Names & identifiers
- Preferred name
- Ancistrocongoline D
- IUPAC
- (1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Names & synonyms
Ancistrocongoline D455255-22-86-Isoquinolinol, 7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-8-methoxy-1,3-dimethyl-, (1R,3R,7S)-RefChem:112571(1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-olCHEMBL489959
Database identifiers
- CAS
455255-22-8- PubChem CID
- 10409129
- ChEMBL
CHEMBL489959- Nikkaji
- J1.792.868F
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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