Ancistrocongoline A
Basic information
- CAS
455255-21-7- Standard SMILES
COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N(C)[C@@H]4C)ccc(O)c12- InChIKey
GWJJRDKEDFSIDL-ZIAGYGMSSA-N- Molecular formula
- C24H27NO4
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.19400834
Overview
Ancistrocongoline A has been reported in Ancistrocladus korupensis and Ancistrocladus congolensis with data available.
Names & identifiers
- Preferred name
- Ancistrocongoline A
- IUPAC
- (1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol
Names & synonyms
Ancistrocongoline A455255-21-76,8-Isoquinolinediol, 1,2,3,4-tetrahydro-5-(4-hydroxy-5-methoxy-7-methyl-1-naphthalenyl)-1,2,3-trimethyl-, (1R,3R,5S)-RefChem:112568(1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diolNSC692902CHEMBL520005SCHEMBL29711339NSC-692902
Database identifiers
- CAS
455255-21-7- PubChem CID
- 392424
- ChEMBL
CHEMBL520005- Nikkaji
- J1.792.865A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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