Lotthanongine

AlkaPlorer ID: AK304637

Synonym: Afzelechin-(4β→2'')-N-(p-coumaroyl)-6''-hydroxytryptamine 

IUPAC Name: None

Structure

SMILES: O=C(/C=C/C1=CC=C(O)C=C1)NCCC1=C(C2C3=C(O)C=C(O)C=C3OC(C3=CC=C(O)C=C3)C2O)NC2=CC(O)=CC=C12

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InChI: InChI=1S/C34H30N2O8/c37-20-6-1-18(2-7-20)3-12-29(42)35-14-13-25-24-11-10-22(39)15-26(24)36-32(25)31-30-27(41)16-23(40)17-28(30)44-34(33(31)43)19-4-8-21(38)9-5-19/h1-12,15-17,31,33-34,36-41,43H,13-14H2,(H,35,42)/b12-3+

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InChIKey: MNGANDPLSNTZIK-KGVSQERTSA-N

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Reference

CAS: 444588-55-0

Properties Information

Molecule Weight: 594.6200000000001

TPSA: 175.5

MolLogP: 4.694500000000007

Number of H-Donors: 8

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information