Structure Database (LMSD)

OH O HO O OH
Common Name
7'-hydroxyabscisic acid
Systematic Name
(2Z,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Synonyms
LM ID
LMPR0103050014
Formula
C15H20O5
Exact Mass
Calculate m/z
280.131075
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]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cyclofarnesane sesquiterpenoids [PR010305]

String Representations

InChiKey (Click to copy)
ZGHRCSAIMSBFLK-IGTFLHFFSA-N
InChi (Click to copy)
InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-
SMILES (Click to copy)
C1(O)(/C=C/C(/C)=C\C(=O)O)C(CO)=CC(=O)CC1(C)C

References

Other Databases

CHEBI ID
20764
PubChem CID
15694667

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 286.45
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 1.79
Molar Refractivity 75.06

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Created at
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Updated at
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