Graphiumin D
AlkaPlorer ID: AK098740
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] (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]5O)C[C@@]4(SC)C(=O)N3[C@@H]21
InChI: InChI=1S/C28H36N2O8S2/c1-4-5-6-7-19(31)12-22(33)38-21-9-11-37-16-18-14-28(40-3)25(34)29-23-17(15-36-10-8-20(23)32)13-27(29,39-2)26(35)30(28)24(18)21/h8-11,15-16,19-21,23-24,31-32H,4-7,12-14H2,1-3H3/t19-,20-,21-,23-,24-,27+,28+/m0/s1
InChIKey: SURGUIDISCNHFJ-WJMDBDSNSA-N
Reference
Graphiumins, new thiodiketopiperazines from the marine-derived fungus Graphium sp. OPMF00224
PubChem CID: 139587299
LOTUS: LTS0155716
{NPAtlas: NPA015049
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Graphium | Graphiaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 592.7360000000001
TPSA？: 125.84000000000002
MolLogP？: 2.780000000000001
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|