Basic information
- CAS
510-67-8- Standard SMILES
O[C@H]1C=C[C@@]23CCN(Cc4cc5c(cc42)OCO5)[C@@H]3C1- InChIKey
RPAORVSEYNOMBR-IUIKQTSFSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Overview
Crinine is an alkaloid.
Names & identifiers
- Preferred name
- Crinine
- IUPAC
- (1S,13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol
Names & synonyms
Crinine510-67-8(1S,13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol(3S,4S)-3-hydroxy-3,4-bis((4-hydroxy-3-methoxy-phenyl)methyl)tetrahydrofuran-2-one(3S,4S)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one(1S,13R,15R)-5,7-dioxa-12-azapentacyclo(10.5.2.01,13.02,10.04,8)nonadeca-2,4(8),9,16-tetraen-15-olRefChem:128464CrinidineCHEMBL1221864NSC709252NSC-709252AC1L9HKV
Show more names
(3R,4aR,5S,11bS)-4,4a-Dihydro-3H,6H-5,11b-ethano[1,3]dioxolo[4,5-j]phenanthridin-3-olorb2279459SCHEMBL29633866CHEBI:31437DTXSID901361848NCGC00488656-01NS00094244Q27114311
Database identifiers
- CAS
510-67-8- PubChem CID
- 398937
- DTXSID
DTXSID901361848- ChEMBL
CHEMBL1221864- ChEBI
CHEBI:31437- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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