Bioactive Compound Details

BioIDbio198643
Name2'-EPI-TUBERATOLIDE B
ChEMBL IDCHEMBL1668775
Molecular FormulaC27H34O4
Molecular Weight422.57
Molecular Weight (Monoisotopic)422.2457
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2'-Epi-Tuberatolide B
SmilesCC(C)=CCCC1=C[C@@H](C/C(C)=C/CC[C@]2(C)C=Cc3cc(O)cc(C)c3O2)OC1=O
InchiInChI=1S/C27H34O4/c1-18(2)8-6-10-22-17-24(30-26(22)29)14-19(3)9-7-12-27(5)13-11-21-16-23(28)15-20(4)25(21)31-27/h8-9,11,13,15-17,24,28H,6-7,10,12,14H2,1-5H3/b19-9+/t24-,27-/m1/s1
Inchi KeyBNWXBVSPPVIYFO-URLCLMEBSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities9.0
Np Likeness Score3.4
Records Key['3']
Records Name[2'-epi-Tuberatolide B"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure