Bioactive Compound Details

BioIDbio961
NameNERVONIN C
ChEMBL IDCHEMBL512457
Molecular FormulaC26H36O9
Molecular Weight492.57
Molecular Weight (Monoisotopic)492.2359
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsnervonin C
SmilesC=C1[C@@H]2C[C@H](OC(C)=O)[C@H]3[C@@]4(C)[C@H](C(=O)[C@H](OC(C)=O)[C@]3(C2)[C@@H]1OC(C)=O)C(C)(C)[C@@H](O)C[C@@H]4O
InchiInChI=1S/C26H36O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(31)9-17(30)24(5,6)21(25)19(32)23(35-14(4)29)26(20,10-15)22(11)34-13(3)28/h15-18,20-23,30-31H,1,8-10H2,2-7H3/t15-,16+,17+,18+,20+,21-,22-,23+,25+,26+/m1/s1
Inchi KeyGXBBMGOUPZDGKP-PMFMSTFJSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.97
Records Key['3, nervonin C']
Records Name['1alpha,3beta-dihydroxy-7beta,11beta,15beta-triacetoxy-ent-kaur-16-en-6-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure