Ancistrotectorine; 1,2-Didehydro, N-de-Me 

AlkaPlorer ID: AK287922

Synonym: Ancistrocladidine

IUPAC Name: 2-(6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl)-8-methoxy-3-methylnaphthalen-1-ol

Structure

SMILES: COC1=C(C2=C(C)C=C3C=CC=C(OC)C3=C2O)C(OC)=C2C(C)=NC(C)CC2=C1

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InChI: InChI=1S/C25H27NO4/c1-13-10-16-8-7-9-18(28-4)22(16)24(27)20(13)23-19(29-5)12-17-11-14(2)26-15(3)21(17)25(23)30-6/h7-10,12,14,27H,11H2,1-6H3

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InChIKey: CESMSNGGFQBVOV-UHFFFAOYSA-N

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Reference

PubChem CID: 14707496

CAS: 52659-52-6

COCONUT: CNP0167999.2

Properties Information

Molecule Weight: 405.4940000000002

TPSA: 60.28

MolLogP: 5.300220000000005

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