Ancistroheynine A

AlkaPlorer ID: AK287909

Synonym: None

IUPAC Name: 7-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol

Structure

SMILES: COC1=C2C(C)=NC(C)CC2=CC(O)=C1C1=CC=C(OC)C2=C(O)C=C(C)C=C12

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InChI: InChI=1S/C24H25NO4/c1-12-8-17-16(6-7-20(28-4)22(17)18(26)9-12)23-19(27)11-15-10-13(2)25-14(3)21(15)24(23)29-5/h6-9,11,13,26-27H,10H2,1-5H3

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InChIKey: PAWGASJYAHGFQZ-UHFFFAOYSA-N

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Reference

PubChem CID: 135434033

CAS: 185417-34-9

COCONUT: CNP0105305.1

Properties Information

Molecule Weight: 391.46700000000016

TPSA: 71.28

MolLogP: 4.997220000000006

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information