General Information of the Compound
Compound ID
CP0139500
Compound Name
1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one
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Synonyms
1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one
135541-40-1
AKOS032948133
BDBM50175013
CHEMBL197916
Cudraxanthone L
MolPort-035-706-469
W2632
ZINC13412042
cudraxanthone L
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Structure
Formula
C23H24O6
Molecular Weight
396.439
Canonical SMILES
CC(C)=CCc1c(O)c(O)cc2c1oc1cc(O)c(c(O)c1c2=O)C(C)(C)C=C
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InChI
InChI=1S/C23H24O6/c1-6-23(4,5)18-14(24)10-16-17(21(18)28)20(27)13-9-15(25)19(26)12(22(13)29-16)8-7-11(2)3/h6-7,9-10,24-26,28H,1,8H2,2-5H3
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InChIKey
LVKPSBFBKBJJOB-UHFFFAOYSA-N
Physicochemical Property
logP
4.7409
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
111.13
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 11486277
SID: 16587902
ChEMBL ID
CHEMBL197916
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: PT01327, Sterol O-acyltransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 68000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02407, Sterol O-acyltransferase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 74400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cudraxanthone L )
Drug Name Cudraxanthone L
Target(s)
Influenza Neuraminidase (Influ NA)
Inhibitor