Trapoxin A
AlkaPlorer ID: AK316225
Synonym: None
IUPAC Name: 3,6-dibenzyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Structure
SMILES: O=C(CCCCCC1N=C(O)C2CCCCN2C(=O)C(CC2=CC=CC=C2)N=C(O)C(CC2=CC=CC=C2)N=C1O)C1CO1
InChI: InChI=1S/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)
InChIKey: GXVXXETYXSPSOA-UHFFFAOYSA-N
Reference
Total Synthesis of Trapoxin A, a Fungal HDAC Inhibitor from <i>Helicoma ambiens</i>
PubChem CID: 14808360
CAS: 133155-89-2
LOTUS: LTS0222509
COCONUT: CNP0257661.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Helicoma ambiens | Helicoma | Tubeufiaceae | Tubeufiales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 602.7320000000002
TPSA？: 147.68
MolLogP？: 4.760200000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|