Licoagrocarpin
Basic information
- CAS
202815-29-0- Standard SMILES
COc1ccc2c(c1)O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@H]21- InChIKey
NYWUHXBEDBSRQB-UWJYYQICSA-N- Molecular formula
- C21H22O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.15180918
Overview
Licoagrocarpin is a member of pterocarpans.
Names & identifiers
- Preferred name
- Licoagrocarpin
- IUPAC
- (6aR,11aR)-9-methoxy-4-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Names & synonyms
LICOAGROCARPINRefChem:1088453(6aR,11aR)-9-methoxy-4-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromen-3-ol202815-29-0orb3237574CHEMBL2437361SCHEMBL30999862SCHEMBL30999863CHEBI:174544DTXSID801114339(6aR,11aR)-6a,11a-Dihydro-9-methoxy-4-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3-ol(6aR,11aR)-9-Methoxy-4-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran-3-ol
Show more names
(6aR,11aR)-9-methoxy-4-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-3-ol
Database identifiers
- CAS
202815-29-0- PubChem CID
- 15840593
- DTXSID
DTXSID801114339- ChEMBL
CHEMBL2437361- ChEBI
CHEBI:174544- Nikkaji
- J942.909C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 500
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Related reactions
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Compound notes
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