Phomazine A
AlkaPlorer ID: AK021693
Synonym: None
IUPAC Name: (3Z,5aS,6S,10aR)-3-benzylidene-6-hydroxy-10a-methylsulfanyl-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
Structure
SMILES: CS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)/C(=C/C1=CC=CC=C1)N=C2O
InChI: InChI=1S/C19H18N2O3S/c1-25-19-11-13-8-5-9-15(22)16(13)21(19)17(23)14(20-18(19)24)10-12-6-3-2-4-7-12/h2-10,15-16,22H,11H2,1H3,(H,20,24)/b14-10-/t15-,16-,19+/m0/s1
InChIKey: JDNKAJXFWBFPPM-TUGLFXRSSA-N
Reference
Thiodiketopiperazines from the Marine-Derived Fungus <i>Phoma</i> sp. OUCMDZ-1847
PubChem CID: 76335556
LOTUS: LTS0215370
NPASS: NPC471678
{NPAtlas: NPA000740
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phoma sp. OUCMDZ-1847 | Phoma | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 354.43100000000004
TPSA？: 73.13
MolLogP？: 2.5149
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/np400802d |
| Homo sapiens | HCT-116 | Activity | None | None | 10.1021/np400802d |
| Homo sapiens | HL-60 | Activity | None | None | 10.1021/np400802d |
| Homo sapiens | K562 | Activity | None | None | 10.1021/np400802d |
| Homo sapiens | MGC-803 | Activity | None | None | 10.1021/np400802d |