Graphiumin I
AlkaPlorer ID: AK127015
Synonym: None
IUPAC Name: [(1R,4S,5S,12R)-2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,15,17,19-pentaen-5-yl] (3S)-3-hydroxyoctanoate
Structure
SMILES: CCCCC[C@H](O)CC(=O)O[C@H]1C=COC=C2C[C@@]34SS[C@]5(CC6=CC=CC=C6N5C3=O)C(=O)N4[C@@H]21
InChI: InChI=1S/C26H28N2O6S2/c1-2-3-4-8-18(29)12-21(30)34-20-10-11-33-15-17-14-26-23(31)27-19-9-6-5-7-16(19)13-25(27,35-36-26)24(32)28(26)22(17)20/h5-7,9-11,15,18,20,22,29H,2-4,8,12-14H2,1H3/t18-,20-,22-,25+,26+/m0/s1
InChIKey: UGWJLBJDVGMOCP-ANPOYOEPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Graphium | Graphiaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 528.6520000000003
TPSA？: 96.38
MolLogP？: 3.6487000000000016
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|