Ascochalasin
AlkaPlorer ID: AK289345
Synonym: None
IUPAC Name: 18-benzyl-5,14-dihydroxy-9,16-dimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icos-11-ene-2,20-dione
Structure
SMILES: C=C1C(C)C2C(CC3=CC=CC=C3)NC(=O)C23C(=O)CCC(O)CCCC(C)CC=CC3C1O
InChI: InChI=1S/C29H39NO4/c1-18-9-7-13-22(31)15-16-25(32)29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)
InChIKey: UMLABRQRQZKXDI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Heteromorpha | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.6340000000003
TPSA？: 86.63000000000001
MolLogP？: 3.9896000000000034
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|