Ascochalasin; 21,22-Didehydro(E-)
AlkaPlorer ID: AK289346
Synonym: Deoxaphomin
IUPAC Name: 18-benzyl-5,14-dihydroxy-9,16-dimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,11-diene-2,20-dione
Structure
SMILES: C=C1C(C)C2C(CC3=CC=CC=C3)N=C(O)C23C(=O)C=CC(O)CCCC(C)CC=CC3C1O
InChI: InChI=1S/C29H37NO4/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/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)
InChIKey: GPCJCBIEJCXNKC-UHFFFAOYSA-N
Reference
Putaminoxins D and E from phoma putaminum
PubChem CID: 170966
LOTUS: LTS0173425
COCONUT: CNP0377735.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Heteromorpha | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phoma sp. | Phoma | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 463.6180000000002
TPSA？: 90.12
MolLogP？: 4.6059000000000045
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|