Identification

PhytoHub ID
PHUB000353
Name
Crocetin
Synonyms
Not Available
CAS Number
27876-94-4
Average Mass
328.408
Monoisotopic Mass
328.167459253
Chemical Formula
C20H24O4
IUPAC Name
crocetin
InChI Key
PANKHBYNKQNAHN-MQQNZMFNSA-N
InChI Identifier
InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
SMILES
C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
5.58e-03 g/l
LogS (ALOGPS)
-4.77
LogP (ALOGPS)
4.54
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
8
Polar Surface Area
74.6
Refractivity
103.7968
Polarizability
38.0504327014913
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
Not Available
pKa (strongest acidic)
4.645179478356558
FreewebChemaxon powered

Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
SaffronHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

Back