General Information of the Compound
Compound ID
CP0124848
Compound Name
(6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
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Synonyms
(-)-HU-210
(6aR,10aR)-3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol
(6aR-trans-3-(1, 1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol
112830-95-2
191042422P
924H455
AKOS024458716
BDBM50067499
CHEMBL307696
DTXSID30150188
GTPL731
HU 210
HU-210
HU-210, solid (air sensitive)
HU210
MFCD01074786
PDSP2_000201
SCHEMBL1517460
UNII-191042422P
ZINC2572463
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Structure
Formula
C25H38O3
Molecular Weight
386.576
Canonical SMILES
CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
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InChI
InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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InChIKey
SSQJFGMEZBFMNV-WOJBJXKFSA-N
Physicochemical Property
logP
6.2235
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
49.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9821569
SID: 14780496
ChEMBL ID
CHEMBL307696
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 0.18 nM
   TI
   LI
   LO
   TS
2
Ki = 1.5 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 9.55 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.06 nM
2 Ki = 0.73 nM
3 Ki = 18.6 nM
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 0.631 nM
   TI
   LI
   LO
   TS
2
Ki = 18 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 0.15 nM
   TI
   LI
   LO
   TS
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 0.15 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 9.78 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.22 nM
2 Ki = 0.5 nM
3 Ki = 7.3 nM
Clinical Information about the Compound
Drug 1 ( HU210 )
Drug Name HU210
Target(s)
Cannabinoid receptor 1 (CB1)
Agonist