Canadine; (S)-form, 8-Oxo, O9-de-Me 

AlkaPlorer ID: AK291524

Synonym: Gusanlung A, 8-Oxotetrahydroberberrubine

IUPAC Name: 16-hydroxy-17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-14-one

Structure

SMILES: COC1=CC=C2CC3C4=CC5=C(C=C4CCN3C(=O)C2=C1O)OCO5

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InChI: InChI=1S/C19H17NO5/c1-23-14-3-2-11-6-13-12-8-16-15(24-9-25-16)7-10(12)4-5-20(13)19(22)17(11)18(14)21/h2-3,7-8,13,21H,4-6,9H2,1H3

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InChIKey: XUOSVBINVLAZQP-UHFFFAOYSA-N

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Reference

PubChem CID: 78169471

CAS: 139220-06-7

COCONUT: CNP0426591.1

Properties Information

Molecule Weight: 339.3470000000001

TPSA: 68.23

MolLogP: 2.4252

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information