Hayatinine

AlkaPlorer ID: AK000090

Synonym: '(+)-Hayatinine'

IUPAC Name: (1R,16S)-10,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaen-9-ol

Structure

SMILES: COC1=CC=C2C=C1OC1=C(OC)C=C3CCN(C)[C@H](CC4=CC=C(C=C4)OC4=C5C(=CC(OC)=C4O)CCN(C)[C@H]5C2)C3=C1

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InChI: InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)40)13-15-39(2)29(35)17-23-8-11-30(41-3)32(18-23)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1

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InChIKey: MYHQIVSWYXBWOC-WDYNHAJCSA-N

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Source

Properties Information

Molecule Weight: 608.735

TPSA: 72.86

MolLogP: 6.859400000000009

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information