15-Methoxypinusolidic acid

CAT: 0013-GTR19182759Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19182759Size:5 mg

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Description

15-Methoxypinusolidic acid is a multi-target small molecule with demonstrated anti-inflammatory, anti-adipogenic, and neuroprotective activities in vitro. It inhibits LPS-induced iNOS/NO production, suppresses PPARγ-mediated adipocyte differentiation, and attenuates glutamate excitotoxicity by modulating calcium homeostasis and oxidative stress, making it a useful research tool for studying related pathways.

CAS Number

769928-72-5

Field of Research

Immunology & Inflammation, Metabolism Research, Molecular Biology, Neuroscience, Pharmacology & Drug Discovery, Signal Transduction

Smiles

COC1OC (=O) C (CC[C@H]2C (=C) CC[C@@H]3[C@]2 (C) CCC[C@]3 (C) C (O) =O) =C1

Molecular Formula

C21H30O5

Molecular Weight

362.46

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

15-Methoxypinusolidic acid

See also: 15-Methoxypinusolidic acid (annotation moved to).

CAS Number	769928-72-5
PubChem CID	11152671
IUPAC Name	(1S,4aR,5S,8aR)-5-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Molecular Formula	C21H30O5
Molecular Weight	362.5
XLogP	4.1
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	651

SMILES

C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CCC3=CC(OC3=O)OC)(C)C(=O)O

InChI

InChI=1S/C21H30O5/c1-13-6-9-16-20(2,10-5-11-21(16,3)19(23)24)15(13)8-7-14-12-17(25-4)26-18(14)22/h12,15-17H,1,5-11H2,2-4H3,(H,23,24)/t15-,16+,17?,20+,21-/m0/s1

InChIKey

OREKSZUASHFFQA-OBNOUSFBSA-N

Chemical Structure

2D Structure

CAS: 769928-72-5

CID: 11152671

Formula: C21H30O5

MW: 362.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	362.5
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	362.20932405
Monoisotopic Mass	362.20932405
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	651
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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UFB92872-01	15-Methoxypinusolidic acid
MBS393781-01	Pentadecanoic-15,15,15-D3 Acid
RRDC15-E	Formic Acid 15%
561300	15-Hexadecynoic acid
HY-N1592	15-Methoxypatagonic acid
HY-N13307	15-Deoxypulic acid
HY-N8792	15-Hydroxypinusolidic acid
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sc-258972A	15-Phenylpentadecanoic acid
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15-Methoxypinusolidic acid

Chemical Information

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