Rhizoxin S1
AlkaPlorer ID: AK061338
Synonym: 'Rhizoxin S1'
IUPAC Name: 2-[(1R,2S,4S,7E,10R,12R,13R,14E,16R)-2,12-dihydroxy-4-[(2R,3R,4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
Structure
SMILES: CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C/C(=O)O1)=C\C1=COC(C)=N1
InChI: InChI=1S/C34H47NO9/c1-20(15-26-19-42-24(5)35-26)9-7-10-22(3)33(41)23(4)28-18-29(37)34(6)30(44-34)14-13-21(2)27(36)16-25(17-31(38)39)11-8-12-32(40)43-28/h7-10,12-15,19,21,23,25,27-30,33,36-37,41H,11,16-18H2,1-6H3,(H,38,39)/b9-7+,12-8+,14-13+,20-15+,22-10+/t21-,23+,25-,27-,28+,29+,30-,33+,34-/m1/s1
InChIKey: PXJPQCKYDGVLKQ-RSIKLJMGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhizopus microsporus | Rhizopus | Rhizopodaceae | Mucorales | Mucoromycetes | Mucoromycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 613.7480000000002
TPSA？: 162.84999999999997
MolLogP？: 4.700220000000004
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|