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7-epi Jasmonic acid

CAT: 0804-HY-122464BSize: 1 EachDry Ice: NoHazardous: No
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Description
7-epi Jasmonic acid is the isomer of (±) -Jasmonic acid. (±) -Jasmonic acid is a plant growth regulator and a derivative of α-linolenic acid. (±) -Jasmonic acid decreases chlorophyll levels in green and etiolated barley leaf segments and inhibits elongation of rice seedlings.
CAS Number
62653-85-4
Product Name Alternative
2-iso Jasmonic acid; 7-iso Jasmonic acid
UNSPSC
12352211
Hazard Statement
H225-H319-H336
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/7-epi-jasmonic-acid.html
Smiles
O=C(O)C[C@@H]1[C@H](C/C=C\CC)C(CC1)=O
Molecular Formula
C12H18O3
Molecular Weight
210.27
Precautions
P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P370+P378-P403+P233-P403+P235-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(+)-7-iso-Jasmonic acid

(+)-7-isojasmonic acid is an oxylipin that is [(1S)-3-oxocyclopentyl]acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 on the cyclopentanone ring. It has a role as a member of jasmonates and a plant metabolite. It is an oxo carboxylic acid and an oxylipin. It is a conjugate acid of a (+)-7-isojasmonate.

CAS Number62653-85-4
PubChem CID7251183
IUPAC Name2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
Molecular FormulaC12H18O3
Molecular Weight210.27
XLogP1.6
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity268
SMILES
CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)O
InChI
InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m1/s1
InChIKey
ZNJFBWYDHIGLCU-QKMQQOOLSA-N
Chemical Structure
2D Structure
2D structure of (+)-7-iso-Jasmonic acid
CAS: 62653-85-4
CID: 7251183
Formula: C12H18O3
MW: 210.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.27
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass210.125594432
Monoisotopic Mass210.125594432
Topological Polar Surface Area54.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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