14-(3,4-Dihydroxyphenyl)-2,3,11,12-tetrahydroxy-6a,14a-dihydro-6H-chromeno[4',3':4,5]pyrrolo[2,1-a]isoquinolin-6-one
Basic information
- CAS
115982-22-4- Standard SMILES
O=C1Oc2cc(O)c(O)cc2C2C(c3ccc(O)c(O)c3)=C3c4cc(O)c(O)cc4C=CN3C12- InChIKey
KIRMMCLRVYLQSV-UHFFFAOYSA-N- Molecular formula
- C25H17NO8
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 459.0954165
Names & identifiers
- Preferred name
- 14-(3,4-Dihydroxyphenyl)-2,3,11,12-tetrahydroxy-6a,14a-dihydro-6H-chromeno[4',3':4,5]pyrrolo[2,1-a]isoquinolin-6-one
- IUPAC
- 12-(3,4-dihydroxyphenyl)-7,8,16,17-tetrahydroxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-5,7,9,12,14,16,18,20-octaen-3-one
Names & synonyms
Lamellarine H14-(3,4-Dihydroxyphenyl)-2,3,11,12-tetrahydroxy-6a,14a-dihydro-6H-chromeno[4',3':4,5]pyrrolo[2,1-a]isoquinolin-6-one14-(3,4-Dihydroxyphenyl)-2,3,11,12-tetrahydroxy-6a,14a-dihydro-6H-chromeno(4',3':4,5)pyrrolo(2,1-a)isoquinolin-6-oneDTXSID00921887(3,4-dihydroxyphenyl)-tetrahydroxy-[?]oneHY-12143014-(3,4-Dihydroxyphenyl)-2,3,11,12-tetrahydroxy-6a,14a-dihydro-6H-[1]benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-6-one
Database identifiers
- CAS
115982-22-4- PubChem CID
- 460908
- DTXSID
DTXSID00921887
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 905
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Compound notes
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