Showing entry for (3S,6S,8R,10R,12R,14R)-17-((S)-1-Hydroxy-1,5-Dimethyl-Hex-4-Enyl)-4,4,8,10,14-Pentamethyl-Hexadecahydro-Cyclopenta[A]Phenanthrene-3,6,12-Triol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042338
Compound Name(3S,6S,8R,10R,12R,14R)-17-((S)-1-Hydroxy-1,5-Dimethyl-Hex-4-Enyl)-4,4,8,10,14-Pentamethyl-Hexadecahydro-Cyclopenta[A]Phenanthrene-3,6,12-Triol
Structure
FormulaC30H52O4
InchiKeySHCBCKBYTHZQGZ-BPPFZSPTSA-N
SMILESCC(=CCC[C@@](C1CC[C@@]2(C1[C@H](O)CC1[C@@]2(C)C[C@@H](C2[C@]1(C)CC[C@@H](C2(C)C)O)O)C)(O)C)C
InchiInChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19?,20-,21+,22?,23+,24?,25?,27-,28-,29-,30+/m1/s1
IUPAC(3S,6S,8R,10R,12R,14R)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Molecular Weight476.39
Pubchem Id24996147
Chembl IdCHEMBL28423
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 50077652
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 BXGT005069 Sterol O-acyltransferase 1 reviewed Soat1 - 24000 - -
CHEMBL CHEMBL28423
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
O70536 BXGT005069 Sterol O-acyltransferase 1 reviewed - Soat1 IC50 '=' 24000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03348 Panax notoginseng Panax notoginseng Medicinal Plant
BXGF04820 Panax ginseng Panax ginseng 0
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