Terpendole E

AlkaPlorer ID: AK033506

Synonym: '', 'Terpendole E', 'FO 2546L'

IUPAC Name: (1R,2R,5R,7R,9R,10S,11S,14S)-7-(2-hydroxypropan-2-yl)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-9-ol

Structure

SMILES: CC(C)(O)[C@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@H]4CC5=C(NC6=CC=CC=C56)[C@@]4(C)[C@]3(C)CC[C@H]2O1

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InChI: InChI=1S/C28H39NO3/c1-25(2,31)23-15-21(30)27(4)20-11-10-16-14-18-17-8-6-7-9-19(17)29-24(18)28(16,5)26(20,3)13-12-22(27)32-23/h6-9,16,20-23,29-31H,10-15H2,1-5H3/t16-,20-,21+,22+,23+,26+,27-,28-/m0/s1

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InChIKey: SVYIMXYKHRBHSG-WGYMRGDSSA-N

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Source

Properties Information

Molecule Weight: 437.62400000000025

TPSA: 65.48

MolLogP: 5.103600000000005

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information