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Chemical structure of Picrocrocin

GC60288

Picrocrocin

Also known as (4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde

Picrocrocin, an apocarotenoid found in the flowers of Cochliobolus sativus· Picrocrocin shows anticancer effect· Picrocrocin exhibits growth inhibitory effects against SKMEL-2 human malignant melanoma cells

ChemicalCAS138-55-6MW330.37FormulaC16H26O7
CAS number
138-55-6
Molecular weight
330.37
Formula
C16H26O7
InChIKey
WMHJCSAICLADIN-WYWSWGBSSA-N
Catalogue number
GC60288
Brand
GLPBIO
Computed properties PubChem CID 130796 · XLogP -0.5 · TPSA 116 Ų · H-bond donors 4
XLogP
-0.5
TPSA
116 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
23

SMILES CC1=C(C(C[C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C=O

Computed descriptors from PubChem (CID 130796), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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