Ancistrobrevine B; 6-Me ether

AlkaPlorer ID: AK287885

Synonym: Ancistrotectoriline A

IUPAC Name: 5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

Structure

SMILES: COC1=C(C2=CC=C(OC)C3=C(OC)C=C(C)C=C23)C2=C(C(OC)=C1)C(C)NC(C)C2

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InChI: InChI=1S/C26H31NO4/c1-14-10-18-17(8-9-20(28-4)26(18)21(11-14)29-5)25-19-12-15(2)27-16(3)24(19)22(30-6)13-23(25)31-7/h8-11,13,15-16,27H,12H2,1-7H3

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InChIKey: DVVAMMKTYAWPGW-UHFFFAOYSA-N

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Reference

PubChem CID: 163050023

CAS: 303752-19-4

COCONUT: CNP0333265.1

Properties Information

Molecule Weight: 421.5370000000002

TPSA: 48.95

MolLogP: 5.444820000000004

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information