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Chemical structure of Dihydrokalafungin

GC74763

Dihydrokalafungin

Also known as 2-[(1R,3S)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid

Dihydrokalafungin (Antibiotic YS-02931K-β) is a benzoisochromanequinone that used as a natural substrate in enzyme assays of the ActVB-ActVA system

ChemicalCAS98392-26-8MW302.28FormulaC16H14O6
CAS number
98392-26-8
Molecular weight
302.28
Formula
C16H14O6
InChIKey
ZCJHPTKRISJQTN-SFYZADRCSA-N
Catalogue number
GC74763
Brand
GLPBIO
Computed properties PubChem CID 443835 · XLogP 1.3 · TPSA 101 Ų · H-bond donors 2
XLogP
1.3
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
22

SMILES C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O

Computed descriptors from PubChem (CID 443835), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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