Phomalide
AlkaPlorer ID: AK091095
Synonym: None
IUPAC Name: (3S,6E,9S,12R,15S)-3-benzyl-6-ethylidene-12,15-bis(2-methylpropyl)-9-propan-2-yl-1,4-dioxa-7,10,13-triazacyclopentadecane-2,5,8,11,14-pentone
Structure
SMILES: C/C=C1/N=C(O)[C@H](C(C)C)N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](CC(C)C)OC(=O)[C@H](CC2=CC=CC=C2)OC1=O
InChI: InChI=1S/C30H43N3O7/c1-8-21-29(37)40-24(16-20-12-10-9-11-13-20)30(38)39-23(15-18(4)5)27(35)32-22(14-17(2)3)26(34)33-25(19(6)7)28(36)31-21/h8-13,17-19,22-25H,14-16H2,1-7H3,(H,31,36)(H,32,35)(H,33,34)/b21-8+/t22-,23+,24+,25+/m1/s1
InChIKey: CFTIBXPRNRXQEG-TYHNAPLMSA-N
Reference
Phomaligols and phomaligadiones: New metabolites from the blackleg fungus
PubChem CID: 10918719
LOTUS: LTS0100618
SuperNatural Ⅲ: SN0044531-02
NPASS: NPC189306
{NPAtlas: NPA014735
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 557.6880000000003
TPSA？: 150.37
MolLogP？: 5.3250000000000055
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Brassica juncea | Brassica juncea | Activity | None | None | 10.1016/j.bmc.2008.07.060 |
| Brassica napus | Brassica napus | Activity | None | None | 10.1016/j.bmc.2008.07.060 |