Bioactive Compound Details

BioIDbio200351
NameORTHOSIPHOL V
ChEMBL IDCHEMBL450248
Molecular FormulaC31H40O10
Molecular Weight572.65
Molecular Weight (Monoisotopic)572.2621
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-O-Deacetylorthosiphol U
SmilesC=C[C@@]1(C)C[C@@H](O)[C@H]2[C@](O)(C1=O)[C@H](OC(C)=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@@]12C
InchiInChI=1S/C31H40O10/c1-8-29(6)15-19(34)23-30(7)20(14-21(39-16(2)32)31(23,38)27(29)37)28(4,5)24(40-17(3)33)22(35)25(30)41-26(36)18-12-10-9-11-13-18/h8-13,19-25,34-35,38H,1,14-15H2,2-7H3/t19-,20+,21-,22+,23-,24-,25+,29+,30+,31+/m1/s1
Inchi KeyGKULTELGFCWVTD-SRHIYTGZSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.61
Records Key['2, orthosiphol V']
Records Name['2-O-deacetylorthosiphol U']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure