Graphiumin C
AlkaPlorer ID: AK060988
Synonym: None
IUPAC Name: [(1R,4S,5S,12R,15S,16S)-16-[(3S)-3-hydroxyoctanoyl]oxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] (3S)-3-hydroxyoctanoate
Structure
SMILES: CCCCC[C@H](O)CC(=O)O[C@H]1C=COC=C2C[C@@]3(SC)C(=O)N4[C@H]5C(=COC=C[C@@H]5OC(=O)C[C@@H](O)CCCCC)C[C@@]4(SC)C(=O)N3[C@@H]21
InChI: InChI=1S/C36H50N2O10S2/c1-5-7-9-11-25(39)17-29(41)47-27-13-15-45-21-23-19-35(49-3)34(44)38-32-24(20-36(38,50-4)33(43)37(35)31(23)27)22-46-16-14-28(32)48-30(42)18-26(40)12-10-8-6-2/h13-16,21-22,25-28,31-32,39-40H,5-12,17-20H2,1-4H3/t25-,26-,27-,28-,31-,32-,35+,36+/m0/s1
InChIKey: ZTPYZCKBNVVRJH-UNGBEAOESA-N
Reference
Graphiumins, new thiodiketopiperazines from the marine-derived fungus Graphium sp. OPMF00224
PubChem CID: 139584311
LOTUS: LTS0002911
{NPAtlas: NPA004393
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Graphium | Graphiaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 734.9339999999999
TPSA？: 152.14
MolLogP？: 4.662200000000004
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|