Phomacin A
AlkaPlorer ID: AK013158
Synonym: None
IUPAC Name: (1S,4Z,6R,7S,8S,10Z,12S,15S,16S,17S)-6,7-dihydroxy-8,10,14,15-tetramethyl-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](C)[C@H](O)[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/c1-13(2)9-19-22-17(6)15(4)12-18-11-14(3)10-16(5)23(29)20(27)7-8-21(28)31-25(18,22)24(30)26-19/h7-8,11-13,16-20,22-23,27,29H,9-10H2,1-6H3,(H,26,30)/b8-7-,14-11-/t16-,17+,18-,19-,20+,22-,23-,25-/m0/s1
InChIKey: CTCWWHNYPVOMQP-XEJAYVSFSA-N
Reference
Phomacins: Three Novel Antitumor Cytochalasan Constituents Produced by a <i>Phoma</i> sp.
PubChem CID: 139583184
LOTUS: LTS0125527
{NPAtlas: NPA000345
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？: 3.745700000000003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|