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Chemical structure of Batatasin I

GC71867

Batatasin I

Also known as 2,5,7-trimethoxyphenanthren-3-ol

Batatasin I is a natural product that can be isolated from tuberous roots of Dioscorea batatas, with antifungal activity and anti-inflammatory effects

ChemicalCAS51415-00-0MW284.31FormulaC17H16O4
CAS number
51415-00-0
Molecular weight
284.31
Formula
C17H16O4
InChIKey
KGYHMWVRKYFQQR-UHFFFAOYSA-N
Catalogue number
GC71867
Brand
GLPBIO
Computed properties PubChem CID 442694 · XLogP 4 · TPSA 47.9 Ų · H-bond donors 1
XLogP
4
TPSA
47.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

SMILES COC1=CC(=C2C(=C1)C=CC3=CC(=C(C=C32)O)OC)OC

Computed descriptors from PubChem (CID 442694), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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