Trapoxin B

AlkaPlorer ID: AK316226

Synonym: None

IUPAC Name: 3,6-dibenzyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Structure

SMILES: O=C1NC(CC2=CC=CC=C2)C(=O)N2CCCC2C(=O)NC(CCCCCC(=O)C2CO2)C(=O)NC1CC1=CC=CC=C1

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InChI: InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)

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InChIKey: LLOKIGWPNVSDGJ-UHFFFAOYSA-N

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Reference

PubChem CID: 5532

CAS: 133155-90-5

COCONUT: CNP0309812.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
Helicoma ambiens Helicoma Tubeufiaceae Tubeufiales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 588.7050000000004

TPSA: 137.21

MolLogP: 1.8492000000000024

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information