Graphiumin E
AlkaPlorer ID: AK075412
Synonym: None
IUPAC Name: [(1R,4S,5S,12R,15S,16S)-16-hydroxy-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] (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=COC=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/C31H38N2O9S2/c1-7-16(2)25(35)17(3)26(36)18(4)27(37)42-22-9-11-41-15-20-13-31(44-6)28(38)32-23-19(14-40-10-8-21(23)34)12-30(32,43-5)29(39)33(31)24(20)22/h7-11,14-15,17-18,21-24,26,34,36H,12-13H2,1-6H3/b16-7+/t17?,18?,21-,22-,23-,24-,26?,30+,31+/m0/s1
InChIKey: DYJYWYZAWBZTMQ-UBWFRMKNSA-N
Reference
Graphiumins, new thiodiketopiperazines from the marine-derived fungus Graphium sp. OPMF00224
PubChem CID: 139584933
LOTUS: LTS0267020
{NPAtlas: NPA006495
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Graphium | Graphiaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 646.7840000000001
TPSA？: 142.91000000000005
MolLogP？: 2.6171000000000006
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|