Ayuthianine

AlkaPlorer ID: AK011850

Synonym: '(-)-Ayuthianine', '(-)-ayuthianine'

IUPAC Name: (12S,13R)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol

Structure

SMILES: COC1=CC=CC2=C1[C@@H](O)[C@@H]1C3=C(C=C4OCOC4=C23)CCN1C

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InChI: InChI=1S/C19H19NO4/c1-20-7-6-10-8-13-19(24-9-23-13)16-11-4-3-5-12(22-2)15(11)18(21)17(20)14(10)16/h3-5,8,17-18,21H,6-7,9H2,1-2H3/t17-,18+/m0/s1

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InChIKey: HYWVELCSGZINQW-ZWKOTPCHSA-N

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Source

Properties Information

Molecule Weight: 325.3640000000001

TPSA: 51.16

MolLogP: 2.6669

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information