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Chemical structure of Neorauflavane

GC74272

Neorauflavane

Also known as 4-[(7R)-5-methoxy-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol

Neorauflavane is a potent tyrosinase inhibitor derived from Campylotropis hirtella, with an IC50 value of 30 nM for tyrosinase monophenolase activity and an IC50 value of 500 nM for diphenolase activity

ChemicalCAS53734-74-0MW354.4FormulaC21H22O5
CAS number
53734-74-0
Molecular weight
354.4
Formula
C21H22O5
InChIKey
FLKVRTIAGSMQLN-LBPRGKRZSA-N
Catalogue number
GC74272
Brand
GLPBIO
Computed properties PubChem CID 101643011 · XLogP 3.9 · TPSA 68.2 Ų · H-bond donors 2
XLogP
3.9
TPSA
68.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

SMILES CC1(C=CC2=C(O1)C=C3C(=C2OC)C[C@@H](CO3)C4=C(C=C(C=C4)O)O)C

Computed descriptors from PubChem (CID 101643011), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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