Phomacin B
AlkaPlorer ID: AK040340
Synonym: None
IUPAC Name: (1S,4Z,6S,8S,10Z,12S,15S,16S,17S)-6-hydroxy-8-(hydroxymethyl)-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-4,10,13-triene-3,19-dione
Structure
SMILES: CC1=C[C@@H]2/C=C(/C)C[C@H](CO)C[C@H](O)/C=C\C(=O)O[C@@]23C(O)=N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChI: InChI=1S/C25H37NO5/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)31-25(19,23)24(30)26-21/h6-7,10-11,14,17-21,23,27-28H,8-9,12-13H2,1-5H3,(H,26,30)/b7-6-,15-10-/t17-,18+,19+,20-,21+,23+,25+/m1/s1
InChIKey: IXONDWQZWWLZDF-LWCQKGSWSA-N
Reference
Phomacins: Three Novel Antitumor Cytochalasan Constituents Produced by a <i>Phoma</i> sp.
PubChem CID: 139585348
LOTUS: LTS0253260
{NPAtlas: NPA008051
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phoma sp. | Phoma | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 431.5730000000002
TPSA？: 99.35
MolLogP？: 3.7473000000000014
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|