Graphiumin H
AlkaPlorer ID: AK075142
Synonym: None
IUPAC Name: [(1R,4S,5S,11R,14S,15S)-15-hydroxy-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-5-yl] (E)-3-hydroxy-2,4,6-trimethyl-5-oxooct-6-enoate
Structure
SMILES: C/C=C(\C)C(=O)C(C)C(O)C(C)C(=O)O[C@H]1C=CC=C2C[C@@]3(SC)C(=O)N4[C@H]5C(=COC=C[C@@H]5O)C[C@@]4(SC)C(=O)N3[C@@H]21
InChI: InChI=1S/C31H38N2O8S2/c1-7-16(2)25(35)17(3)26(36)18(4)27(37)41-22-10-8-9-19-13-30(42-5)28(38)32-23-20(15-40-12-11-21(23)34)14-31(32,43-6)29(39)33(30)24(19)22/h7-12,15,17-18,21-24,26,34,36H,13-14H2,1-6H3/b16-7+/t17?,18?,21-,22-,23-,24-,26?,30+,31+/m0/s1
InChIKey: DBVGKRIYSSJHML-UBWFRMKNSA-N
Reference
Graphiumins, new thiodiketopiperazines from the marine-derived fungus Graphium sp. OPMF00224
PubChem CID: 139584914
LOTUS: LTS0164159
{NPAtlas: NPA006437
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Graphium | Graphiaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 630.7850000000001
TPSA？: 133.68
MolLogP？: 2.685500000000001
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|