Phomazine C
AlkaPlorer ID: AK091661
Synonym: None
IUPAC Name: (1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,6,15,16-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone
Structure
SMILES: O=C1C[C@H](O)[C@H](O)[C@@H]2[C@H]1C[C@@]13SS[C@]4(C[C@H]5C(=O)C[C@H](O)[C@H](O)[C@H]5N4C1=O)C(=O)N23
InChI: InChI=1S/C18H20N2O8S2/c21-7-1-9(23)13(25)11-5(7)3-17-15(27)20-12-6(8(22)2-10(24)14(12)26)4-18(20,30-29-17)16(28)19(11)17/h5-6,9-14,23-26H,1-4H2/t5-,6-,9-,10-,11-,12-,13-,14-,17+,18+/m0/s1
InChIKey: YNFKMTRYYNDXHU-PLFLVPLZSA-N
Reference
Thiodiketopiperazines from the Marine-Derived Fungus <i>Phoma</i> sp. OUCMDZ-1847
PubChem CID: 76317377
LOTUS: LTS0212866
NPASS: NPC471679
{NPAtlas: NPA011607
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phoma sp. OUCMDZ-1847 | Phoma | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 456.49800000000016
TPSA？: 155.68
MolLogP？: -2.389
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 7
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 |