Apocarotenoids

Crocetin

藏红花酸

PHY-NP-16355 · Natural product research catalog

Catalog number	PHY-NP-16355
CAS number	27876-94-4
Molecular formula	C₂₀H₂₄O₄
Molecular weight	328.408 g/mol
Chemical class	Apocarotenoids
Purity / assay	Confirmed in quotation and batch COA

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Product information

Crocetin is listed in the Apocarotenoids 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	(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
SMILES	C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C
InChIKey	PANKHBYNKQNAHN-MQQNZMFNSA-N
Subclass / scaffold	Miscellaneous apocarotenoids
PubChem CID	5281232

Computed properties & structure classification

Exact mass (Da)	328.1675	Predicted LogP	4.6094
Predicted TPSA (Å²)	74.6	H-bond donors	2
H-bond acceptors	2	Rotatable bonds	8
Ring count	0	Aromatic rings	0
Fraction Csp³	0.2	Synthetic accessibility score	3.35
QED score	0.504	Lipinski rule violations	0
NPClassifier pathway	Terpenoids	NPClassifier superclass	Apocarotenoids
NPClassifier class	Miscellaneous apocarotenoids	Parent SMILES	CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O
Parent formula	C₂₀H₂₄O₄	Parent molecular weight	328.408
Specified stereocenters	0	Unspecified stereocenters	0

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

Reported natural occurrence

Main reported source	Crocus sativus
LOTUS / Wikidata species	Crocus sativus(番红花)[18]；Gardenia jasminoides(栀子花)[4]；Acer palmatum(鸡爪槭)[1]；Brassica juncea(芥菜)[1]；Brassica oleracea(甘蓝)[1]；Crocus albiflorus[1]；Crocus caeruleus[1]；Crocus tommasinianus[1]；Crocus vernus(春番红花)[1]；Daucus carota(野胡萝卜)[1]；Euonymus japonicus(冬青卫矛)[1]；Lactuca serriola(毒莴苣)[1]；Perilla frutescens(紫苏)[1]；Raphanus sativus(萝卜)[1]；Satsuki azalea(皋月杜鹃)[1]；…
Source families	Iridaceae[5]；Brassicaceae[3]；Rubiaceae[1]；Sapindaceae[1]；Apiaceae[1]；Celastraceae[1]
LOTUS species records	17
LOTUS reference records	22
COCONUT occurrence records	A new engineered strain of Daldinia eschscholzii [n.a.]；Acer palmatum；Brassica juncea；Brassica oleracea；Crocus albiflorus；Crocus albiflorus Kit.；Crocus caeruleus；Crocus sativus；Crocus sativus L.；Crocus sp.；Crocus tommasinianus；Crocus tommasinianus Herb.；Crocus vernus；Daucus carota；Euonymus japonicus；Fructus gardeniae；Gardenia jasminoides；Gardenia jasminoides var. grandiflora；Gardenia sp.；Lactuca serriola；Perilla frutescens；Raphanus sativus；Satsuki azalea；Stigma croci；Verbascum lychnitis；maize
COCONUT organism records	26
COCONUT identifier	CNP0269951.1

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.

Structure resources

Download structure · SDF ↓Download structure image ↓View PubChem record ↗

Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.

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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