General Information of the Compound
Compound ID
CP0271401
Compound Name
5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol
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Structure
Formula
C19H18O5
Molecular Weight
326.348
Canonical SMILES
CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
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InChI
InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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InChIKey
QFUCSEIKNTUPPA-UHFFFAOYSA-N
Physicochemical Property
logP
3.5854
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
83.06
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 14539884
SID: 85197681
ChEMBL ID
CHEMBL380456
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 819.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02791, Hypoxia-inducible factor 1-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000273 Hep 3B2.1-7 Homo sapiens (Human)  1
1
IC50 = 10700 nM
   TI
   LI
   LO
   TS