Bioactive Compound Details

BioIDbio1550
NameGLOBOSTELLATIC ACID C
ChEMBL IDCHEMBL455797
Molecular FormulaC33H47NaO7
Molecular Weight578.72
Molecular Weight (Monoisotopic)556.34
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGlobostellatic Acid C
SmilesCOC(/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@H]2[C@@]3(C)CC[C@@H](OC(C)=O)[C@](C)(C(=O)[O-])[C@@H]3CC[C@]12C)C(C)(C)O.[Na+]
InchiInChI=1S/C33H48O7.Na/c1-20(13-14-26(39-9)30(4,5)38)11-10-12-21(2)28-23(35)19-25-31(6)18-16-27(40-22(3)34)33(8,29(36)37)24(31)15-17-32(25,28)7;/h10-14,24-27,38H,15-19H2,1-9H3,(H,36,37);/q;+1/p-1/b12-10+,14-13+,20-11+,28-21+;/t24-,25+,26?,27-,31+,32+,33-;/m1./s1
Inchi KeyGMHCRJAKMQQTJB-RLOWDUIGSA-M
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score3.07
Records Key['3']
Records Name['globostellatic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure