Structure Database (LMSD)

Common Name
forskolin
Systematic 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
Synonyms
  • 7beta-acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one
  • FORSKOLIN
  • colforsina
  • colforsine
  • colforsinum
LM ID
LMPR0104030004
Status
Active
Exact Mass
Calculate m/z
410.230455
Formula



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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
OHCQJHSOBUTRHG-KGGHGJDLSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1C([C@]2([C@]([C@@]3(O)C(=O)C[C@@](C)(O[C@]3(C)[C@H]([C@H]2O)OC(C)=O)C=C)(C)[C@@H](O)C1)[H])(C)C

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 405.69
Topological Polar Surface Area 115.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.24
Molar Refractivity 107.92

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Created at
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Updated at
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