Phomocytochalasin A
AlkaPlorer ID: AK327022
Synonym: None
IUPAC Name: [(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] propanoate
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23[C@H](OC(=O)CC)/C=C/[C@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C31H41NO5/c1-6-26(33)37-25-15-16-30(5,36)18-19(2)11-10-14-23-28(34)21(4)20(3)27-24(32-29(35)31(23,25)27)17-22-12-8-7-9-13-22/h7-10,12-16,19-20,23-25,27-28,34,36H,4,6,11,17-18H2,1-3,5H3,(H,32,35)/b14-10+,16-15+/t19-,20+,23-,24-,25+,27-,28+,30-,31+/m0/s1
InChIKey: KYPVMFRLDNPIBD-RHHBANPHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phomopsis asparagi | Phomopsis | Valsaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 507.67100000000033
TPSA？: 99.35
MolLogP？: 4.968500000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|