General Information of the Compound
Compound ID
CP0026997
Compound Name
Alternariol
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Structure
Formula
C14H10O5
Molecular Weight
258.229
Canonical SMILES
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
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InChI
InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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InChIKey
CEBXXEKPIIDJHL-UHFFFAOYSA-N
CAS
641-38-3
Physicochemical Property
logP
2.37142
Rotatable Bonds
0
Heavy Atom Count
19
Polar Areas
90.9
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 5359485
SID: 16510430
ChEMBL ID
CHEMBL519982
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000346 L-5178-Y Mus musculus (Mouse)  1
1
EC50 = 6583.278473 nM
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