Structure Database (LMSD)

O H H O HO OH
Common Name
Gibberellin A12
Systematic Name
Synonyms
LM ID
LMPR0104170014
Formula
C20H28O4
Exact Mass
Calculate m/z
332.19876
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)
UJFQJDAESQJXTG-UFUZVNNQSA-N
InChi (Click to copy)
InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1
SMILES (Click to copy)
[C@]123[C@@H](C(=O)O)[C@@]4([H])[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@]1([H])CC[C@@H](C(=C)C2)C3

References

Other Databases

Wikipedia
Gibberellin
KEGG ID
C11857
CHEBI ID
30088
PubChem CID
443450

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 332.36
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.96
Molar Refractivity 89.34

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Created at
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Updated at
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