epothilone B
AlkaPlorer ID: AK017213
Synonym: 'Epothilone B', '(-)-Epothilone B', 'Epo B', 'EPO 906', '(-)-epothilone B', 'epothilone b', 'epothilone B', 'EpoB'
IUPAC Name: (1S,3S,7S,10R,11R,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Structure
SMILES: C/C(=C/C1=CSC(C)=N1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
InChI: InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11-/t15-,17+,20-,21-,22-,24+,27+/m0/s1
InChIKey: QXRSDHAAWVKZLJ-OXZHEXMSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Myxococcus xanthus | Myxococcus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 507.6930000000003
TPSA？: 109.25
MolLogP？: 4.477520000000005
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|