Structure Database (LMSD)

HO O H H O HO O OH
Common Name
Gibberellin A36
Systematic Name
Synonyms
LM ID
LMPR0104170019
Formula
C20H26O6
Exact Mass
Calculate m/z
362.17294
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Gibberellins [PR010417]

String Representations

InChiKey (Click to copy)
JZBLVVPDEDCVQA-SQLMURCQSA-N
InChi (Click to copy)
InChI=1S/C20H26O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1
SMILES (Click to copy)
[C@]123C[C@@H](CC[C@@]1([H])[C@]1([C@@]([H])([C@](C)(C(=O)O)[C@@H](O)CC1)[C@@H]2C(=O)O)C=O)C(=C)C3

References

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11862
CHEBI ID
29595
PubChem CID
443455

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 347.30
Topological Polar Surface Area 111.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.40
Molar Refractivity 91.63

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Created at
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Updated at
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