Showing entry for Falcarindiol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0033089
Compound NameFalcarindiol
Structure
FormulaC17H24O2
InchiKeyQWCNQXNAFCBLLV-YWALDVPYSA-N
SMILESCCCCCCC/C=C\[C@@H](C#CC#C[C@@H](C=C)O)O
InchiInChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
IUPAC(3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
Molecular Weight260.18
Pubchem Id5281148
Chembl IdCHEMBL69018
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 50071370
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 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 8.2 - -
reviewed BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 - 117500 - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 1125 - - -
reviewed BXGT009618 Delta-type opioid receptor reviewed Oprd1 1096 - - -
reviewed BXGT008440 D(1A) dopamine receptor reviewed Drd1 192 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 2515 - - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 66000 - -
CHEMBL CHEMBL69018
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
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 8 ug.mL-1
P32300 BXGT009618 Delta-type opioid receptor reviewed - Oprd1 Activity '>' 50 %
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Activity '>' 50 %
P32300 BXGT009618 Delta-type opioid receptor reviewed - Oprd1 Ki '=' 1096 nM
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 Activity '>' 50 %
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ki '=' 2515 nM
P18901 BXGT008440 D(1A) dopamine receptor reviewed - Drd1 Ki '=' 192 nM
P34969 BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 Inhibition '=' 61 %
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 Ki '=' 1125 nM
P34969 BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 IC50 '=' 117500 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 66000 nM
P18901 BXGT008440 D(1A) dopamine receptor reviewed - Drd1 Activity '>' 50 %
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition '=' 97 %
Q9ES14 BXGT020314 Gamma-aminobutyric acid receptor subunit epsilon reviewed - Gabre IC50 '>' 10000 nM
Q91ZM7 BXGT019327 GABA theta subunit unreviewed - Gabrq IC50 '>' 10000 nM
P63138 BXGT011502 Gamma-aminobutyric acid receptor subunit beta-2 reviewed - Gabrb2 IC50 '>' 10000 nM
P63079 BXGT011491 Gamma-aminobutyric acid receptor subunit beta-3 reviewed - Gabrb3 IC50 '>' 10000 nM
P62813 BXGT011460 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed - Gabra1 IC50 '>' 10000 nM
P30191 BXGT009410 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed - Gabra6 IC50 '>' 10000 nM
P28473 BXGT009261 Gamma-aminobutyric acid receptor subunit gamma-3 reviewed - Gabrg3 IC50 '>' 10000 nM
P28471 BXGT009259 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed - Gabra4 IC50 '>' 10000 nM
P23576 BXGT008885 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed - Gabra2 IC50 '>' 10000 nM
P23574 BXGT008884 Gamma-aminobutyric acid receptor subunit gamma-1 reviewed - Gabrg1 IC50 '>' 10000 nM
P20236 BXGT008551 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed - Gabra3 IC50 '>' 10000 nM
P19969 BXGT008536 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed - Gabra5 IC50 '>' 10000 nM
P18508 BXGT008412 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed - Gabrg2 IC50 '>' 10000 nM
P18506 BXGT008410 Gamma-aminobutyric acid receptor subunit delta reviewed - Gabrd IC50 '>' 10000 nM
P15431 BXGT008122 Gamma-aminobutyric acid receptor subunit beta-1 reviewed - Gabrb1 IC50 '>' 10000 nM
O09028 BXGT004049 Gamma-aminobutyric acid receptor subunit pi reviewed - Gabrp IC50 '>' 10000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00001 Angelica Angelica keiskei Herbs and Spices
BXGF00072 Wild carrot Daucus carota Vegetables
BXGF01140 Angelica gigas Angelica gigas Medicinal Plant
BXGF02030 Angelica decursiva Angelica decursiva Medicinal Plant
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02624 Cicuta virosa Cicuta virosa Medicinal Plant
BXGF02792 Ligusticum sinense Ligusticum sinense Medicinal Plant
BXGF03379 Cnidium officinale Cnidium officinale Medicinal Plant
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana Others
BXGF03865 Hansenia forbesii Hansenia forbesii Others
BXGF03888 Angelica dahurica Angelica dahurica Medicinal Plant
BXGF04842 Angelica acutiloba Angelica acutiloba Medicinal Plant
BXGF04900 Ostericum grosseserratum Ostericum grosseserratum Human Edible Plant
BXGF05104 Angelica furcijuga Angelica furcijuga Medicinal Plant
BXGF05260 Peucedanum praeruptorum Peucedanum praeruptorum Medicinal Plant
BXGF05636 Aralia fargesii Aralia fargesii Medicinal Plant
BXGF06107 Glehnia littoralis Glehnia littoralis 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