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YF-Mo1

CAT: 0013-GTR19234602-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234602-02Size:50 mg
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Description
YF-Mo1 (compound 9) is a potent and selective inhibitor of carbonyl reductase 1 (CBR1), exhibiting an IC50 of 1.1 μM. This small molecule is a valuable research tool for studying CBR1's role in metabolism and drug resistance, applicable in both in vitro enzymatic assays and cellular models.
CAS Number
1119826-36-6
Field of Research
Cell Biology, Metabolism Research
Smiles
C (C (=O) C1=C (O) C=C (O) C=C1) (CC2=CC=C (O) C=C2) C3=C (OC=4C (C3=O) =C (O) C=C (O) C4) C5=CC=C (O) C=C5
Molecular Formula
C30H22O9
Molecular Weight
526.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 170453329
CAS Number1119826-36-6
PubChem CID170453329
IUPAC Name3-[1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC30H22O9
Molecular Weight526.5
XLogP5.4
Topological Polar Surface Area165
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity917
SMILES
C1=CC(=CC=C1CC(C2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)C(=O)C5=C(C=C(C=C5)O)O)O
InChI
InChI=1S/C30H22O9/c31-17-5-1-15(2-6-17)11-22(28(37)21-10-9-19(33)12-23(21)35)26-29(38)27-24(36)13-20(34)14-25(27)39-30(26)16-3-7-18(32)8-4-16/h1-10,12-14,22,31-36H,11H2
InChIKey
ZTBCHWXMVILHMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 170453329
CAS: 1119826-36-6
CID: 170453329
Formula: C30H22O9
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP35.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass526.12638228
Monoisotopic Mass526.12638228
Topological Polar Surface Area165 Ų
Heavy Atom Count39
Formal Charge0
Complexity917
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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