Structure Database (LMSD)

Common Name
(+)-8'-hydroxyabscisic acid
Systematic Name
(2Z,4E)-5-[(1R,6R)-1-hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Synonyms
  • 8'-hydroxyabscisic acid
LM ID
LMPR0103050010
Formula
C15H20O5
Exact Mass
Calculate m/z
280.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
AVFORCKFTWHFAR-ZSIFGTMLSA-N
InChi (Click to copy)
InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t14-,15-/m1/s1
SMILES (Click to copy)
C(/[C@]1(O)[C@](CO)(C)CC(=O)C=C1C)=C\C(\C)=C/C(O)=O

Other Databases

KEGG ID
C15514
CHEBI ID
20805
PubChem CID
11954194

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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Updated at
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