Bioactive Compound Details

BioIDbio147
NameALBOATISIN C
ChEMBL IDCHEMBL388775
Molecular FormulaC20H30O4
Molecular Weight334.46
Molecular Weight (Monoisotopic)334.2144
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsalboatisin C
SmilesC=C1C(=O)[C@]23C[C@@H](O)[C@H]1C[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O
InchiInChI=1S/C20H30O4/c1-11-12-7-15-19(3)6-4-5-18(2,10-21)14(19)8-16(23)20(15,17(11)24)9-13(12)22/h12-16,21-23H,1,4-10H2,2-3H3/t12-,13+,14+,15-,16+,18+,19+,20+/m0/s1
Inchi KeyWHNRXVKFGPGHAF-HSVPHDSMSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score3.51
Records Key['3, alboatisin C']
Records Name['7-alpha,13-alpha,18-trihydroxy-ent-atis-16-en-15-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure