Graphiumin A
AlkaPlorer ID: AK098731
Synonym: None
IUPAC Name: [(1R,4S,5S,12R,15S,16S)-16-[(3S)-3-hydroxyoctanoyl]oxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-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@@]34SS[C@]5(CC6=COC=C[C@H](OC(=O)C[C@@H](O)CCCCC)[C@H]6N5C3=O)C(=O)N4[C@@H]21
InChI: InChI=1S/C34H44N2O10S2/c1-3-5-7-9-23(37)15-27(39)45-25-11-13-43-19-21-17-33-32(42)36-30-22(18-34(36,48-47-33)31(41)35(33)29(21)25)20-44-14-12-26(30)46-28(40)16-24(38)10-8-6-4-2/h11-14,19-20,23-26,29-30,37-38H,3-10,15-18H2,1-2H3/t23-,24-,25-,26-,29-,30-,33+,34+/m0/s1
InChIKey: KSMQCJNGMSYVJZ-SJQRTZAESA-N
Reference
Graphiumins, new thiodiketopiperazines from the marine-derived fungus Graphium sp. OPMF00224
PubChem CID: 139587144
LOTUS: LTS0109967
{NPAtlas: NPA014551
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Graphium | Graphiaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 704.8639999999999
TPSA？: 152.14
MolLogP？: 4.331200000000004
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|