Secantioquine

AlkaPlorer ID: AK313182

Synonym: None

IUPAC Name: 4-hydroxy-3-[5-[[7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenyl]benzaldehyde

Structure

SMILES: COC1=CC2=C(C=C1OC1=C(O)C(OC)=CC3=C1C(CC1=CC=C(OC)C(C4=CC(C=O)=CC=C4O)=C1)N(C)CC3)C(=O)N(C)CC2

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InChI: InChI=1S/C37H38N2O8/c1-38-12-11-24-18-33(46-5)35(42)36(47-32-19-25-23(17-31(32)45-4)10-13-39(2)37(25)43)34(24)28(38)16-21-7-9-30(44-3)27(14-21)26-15-22(20-40)6-8-29(26)41/h6-9,14-15,17-20,28,41-42H,10-13,16H2,1-5H3

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InChIKey: ZOBAYWQPWZMJPP-UHFFFAOYSA-N

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Reference

PubChem CID: 75052111

CAS: 93767-29-4

COCONUT: CNP0390851.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Pseudoxandra Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 638.7169999999999

TPSA: 118.0

MolLogP: 5.795200000000007

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information