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Chemical structure of Crocetin

GC33341

Crocetin

Also listed as Transcrocetin (trans-Crocetin)

Transcrocetin (trans-Crocetin) (trans-Crocetin), extracted from saffron (Crocus sativus L·), acts as an NMDA receptor antagonist with high affinity· Transcrocetin (trans-Crocetin) (trans-Crocetin) is capable of crossing the blood-brain barrier and reach the central nervous system (CNS)

ChemicalCAS27876-94-4MW328.4FormulaC20H24O4
CAS number
27876-94-4
Molecular weight
328.4
Formula
C20H24O4
Solubility
DMSO ： ≥ 33 mg/mL (100·49 mM)
InChIKey
PANKHBYNKQNAHN-MQQNZMFNSA-N
Catalogue number
GC33341
Brand
GLPBIO
Computed properties PubChem CID 5281232 · XLogP 5.4 · TPSA 74.6 Ų · H-bond donors 2
XLogP
5.4
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
24

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

Computed descriptors from PubChem (CID 5281232), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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