Showing entry for (4Ar,5R,6As,6Br,10S,12Ar)-5,10-Dihydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042395
Compound Name(4Ar,5R,6As,6Br,10S,12Ar)-5,10-Dihydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid
Structure
FormulaC30H48O4
InchiKeyYKOPWPOFWMYZJZ-QIKFJBJGSA-N
SMILESO[C@@H]1C[C@]2(C)C(=CCC3[C@@]2(C)CCC2[C@]3(C)CC[C@@H](C2(C)C)O)C2[C@@]1(CCC(C2)(C)C)C(=O)O
InchiInChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19?,20?,21?,22-,23+,27-,28+,29+,30+/m0/s1
IUPAC(4aR,5R,6aS,6bR,10S,12aR)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight472.36
Pubchem Id23983726
Chembl IdCHEMBL1559201
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 75554
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT009442 Oxytocin receptor reviewed G-protein coupled receptor OXTR - - - 2671
reviewed BXGT009977 Vasopressin V1a receptor reviewed G-protein coupled receptor AVPR1A - - - 2325
CHEMBL CHEMBL1559201
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P30559 BXGT009442 Oxytocin receptor reviewed G-protein coupled receptor OXTR EC50 '=' 2671 nM
P37288 BXGT009977 Vasopressin V1a receptor reviewed G-protein coupled receptor AVPR1A EC50 '=' 2325 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03110 Gleditsia sinensis Gleditsia sinensis Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease