General Information of the Compound
Compound ID
CP0020977
Compound Name
1,2-Dihydro-3H-naphtho[2,1-b]pyran-3-one
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Synonyms
1,2-Dihydro-3H-naphtho[2,1-b]pyran-3-one
1,2-dihydro-3h-benzo[f]chromen-3-one
1,2-dihydrobenzo[f]chromen-3-one
1H,2H,3H-naphtho[2,1-b]pyran-3-one
1H-benzo[f]chromen-3(2H)-one
5690-03-9
AC1L1JZ6
AC1Q6ML4
BDBM29590
BSPBio_001116
Bio2_000398
Bio2_000878
CHEBI:75272
CHEMBL86537
GTPL8101
HMS1362H17
HMS1990H17
ISFPDBUKMJDAJH-UHFFFAOYSA-N
KBio2_000456
KBio2_003024
KBio2_005592
KBio3_000851
KBio3_000852
KBioGR_000456
KBioSS_000456
MolPort-003-959-546
SCHEMBL2544804
Splitomycin
Tocris-1542
ZINC27374
splitomicin
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Structure
Formula
C13H10O2
Molecular Weight
198.221
Canonical SMILES
O=C1CCc2c(O1)ccc1ccccc21
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InChI
InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
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InChIKey
ISFPDBUKMJDAJH-UHFFFAOYSA-N
Physicochemical Property
logP
2.6914
Rotatable Bonds
0
Heavy Atom Count
15
Polar Areas
26.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 5269
SID: 15487777
ChEMBL ID
CHEMBL86537
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: PT00285, Histone deacetylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( splitomicin )
Drug Name splitomicin
Target(s)
NAD-dependent deacetylase sirtuin-1 (SIRT1)
Inhibitor