Aliphatics

Senecic acid

千里光酸

PHY-NP-12255 · Natural product research catalog

Catalog number	PHY-NP-12255
CAS number	13588-16-4
Molecular formula	C₁₀H₁₆O₅
Molecular weight	216.233 g/mol
Chemical class	Aliphatics
Main reported source	Senecio brachypodus
Purity / assay	Confirmed in quotation and batch COA

Chemical structure

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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

Senecic acid is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	(2R,3R,5Z)-5-ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
SMILES	C/C=C(/C[C@@H](C)[C@](C)(C(=O)O)O)\C(=O)O
InChIKey	CEYWPVCZMDVGLZ-BEPFRFAYSA-N
Subclass / scaffold	Fatty Acids and Conjugates：Branched fatty acids
PubChem CID	6440847

Computed properties & structure classification

Exact mass (Da)	216.0998	Predicted LogP	0.8791
Predicted TPSA (Å²)	94.83	H-bond donors	3
H-bond acceptors	3	Rotatable bonds	5
Ring count	0	Aromatic rings	0
Fraction Csp³	0.6	Synthetic accessibility score	3.95
QED score	0.593	Lipinski rule violations	0
NPClassifier pathway	Fatty acids	NPClassifier superclass	Fatty Acids and Conjugates
NPClassifier class	Branched fatty acids	Parent SMILES	C/C=C(/C[C@@H](C)[C@@](C)(O)C(=O)O)C(=O)O
Parent formula	C₁₀H₁₆O₅	Parent molecular weight	216.233
Specified stereocenters	2	Unspecified stereocenters	0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported source	Senecio brachypodus
LOTUS / Wikidata species	Senecio brachypodus[1]
Source families	Asteraceae[1]
LOTUS species records	1
LOTUS reference records	1
COCONUT occurrence records	Senecio；Senecio brachypodus
COCONUT organism records	2
COCONUT identifier	CNP0289666.2

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific document pending; not available in this preview
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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