Trichodepsipeptide A
AlkaPlorer ID: AK316304
Synonym: None
IUPAC Name: 15-benzyl-6-(hydroxymethyl)-13-methyl-9,12,18-tris(2-methylpropyl)-3-propan-2-yl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CC(C)CC1N=C(O)C(CC(C)C)N(C)C(=O)C(CC2=CC=CC=C2)N=C(O)C(CC(C)C)OC(=O)C(C(C)C)OC(=O)C(CO)N=C1O
InChI: InChI=1S/C36H56N4O9/c1-20(2)15-25-31(42)39-27(19-41)35(46)49-30(23(7)8)36(47)48-29(17-22(5)6)33(44)38-26(18-24-13-11-10-12-14-24)34(45)40(9)28(16-21(3)4)32(43)37-25/h10-14,20-23,25-30,41H,15-19H2,1-9H3,(H,37,43)(H,38,44)(H,39,42)
InChIKey: ITNSWMYMZKJXQE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichothecium sp. | Trichothecium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 688.8630000000002
TPSA？: 190.91
MolLogP？: 4.655200000000004
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|