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Chemical structure of Heraclenol

GC38393

Heraclenol

Also known as 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

Heraclenol, a coumarin, is isolated from the fruits of Angelica lucida, and exhibits antibacterial activities

ChemicalCAS31575-93-6MW304.29FormulaC16H16O6
CAS number
31575-93-6
Molecular weight
304.29
Formula
C16H16O6
Solubility
Soluble in DMSO
InChIKey
FOINLJRVEBYARJ-LLVKDONJSA-N
Catalogue number
GC38393
Brand
GLPBIO
Computed properties PubChem CID 73253 · XLogP 1.2 · TPSA 89.1 Ų · H-bond donors 2
XLogP
1.2
TPSA
89.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

SMILES CC(C)([C@@H](COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O

Computed descriptors from PubChem (CID 73253), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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