Graphiumin J
AlkaPlorer ID: AK127018
Synonym: None
IUPAC Name: [(1R,11R,14S,15S)-5-hydroxy-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-4(9),5,7,16,19-pentaen-15-yl] (3S)-3-hydroxyoctanoate
Structure
SMILES: CCCCC[C@H](O)CC(=O)O[C@H]1C=COC=C2C[C@@]3(SC)C(=O)N4C5=C(O)C=CC=C5C[C@@]4(SC)C(=O)N3[C@@H]21
InChI: InChI=1S/C28H34N2O7S2/c1-4-5-6-9-19(31)13-22(33)37-21-11-12-36-16-18-15-28(39-3)25(34)29-23-17(8-7-10-20(23)32)14-27(29,38-2)26(35)30(28)24(18)21/h7-8,10-12,16,19,21,24,31-32H,4-6,9,13-15H2,1-3H3/t19-,21-,24-,27+,28+/m0/s1
InChIKey: RCKQRRQPDPVFFY-HNFVFRIRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Graphium | Graphiaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 574.7210000000002
TPSA？: 116.61
MolLogP？: 3.6853000000000025
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|