General Information of the Compound
Compound ID
CP0166548
Compound Name
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate
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Synonyms
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate
1F7A44V6OU
66575-29-9
7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one
Boforsin
CHEMBL52606
Coleonol
Coleonolk
Colforsin
Colforsin [USAN:INN]
Colforsina [Spanish]
Colforsine [French]
Colforsinum [Latin]
EINECS 266-410-9
Forskolin
Forskolin, Coleus forskohlii
HL 362
L 75 1362B
NSC 357088
NSC 375489
UNII-1F7A44V6OU
colforsina
colforsine
colforsinum
forskolin
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Structure
Formula
C22H34O7
Molecular Weight
410.507
Canonical SMILES
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
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InChI
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
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InChIKey
OHCQJHSOBUTRHG-KGGHGJDLSA-N
CAS
66575-29-9
64657-11-0
66428-89-5
72569-68-7
Physicochemical Property
logP
1.5199
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
113.29
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 47936
SID: 15080267
ChEMBL ID
CHEMBL52606
DrugBank ID
DB02587
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000167 NIH-3T3-G185 Mus musculus (Mouse)  1
1
IC50 = 80200 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 23109.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000514 DPX2 Homo sapiens (Human)  2
1
EC50 = 2700 nM
   TI
   LI
   LO
   TS
2
EC50 = 7900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 14100 nM
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 7100 nM
   TI
   LI
   LO
   TS
Protein ID: PT05999, Relaxin receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 47 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Forskolin )
Drug Name Forskolin
Indication
Solid tumour/cancer
Investigative
Target(s)
Adenylate cyclase type 2 (ADCY2)
Inhibitor