General Information of the Compound
| Compound ID |
CP0083020
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| Compound Name |
Ammivin
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| Synonyms |
82-02-0
Amicardine
Amikellin
Amiptan
Ammi-khellin
Ammipuran
Ammispasmin
Ammivin
Ammivisnagen
Benecardin
Bi-Kellina
Cardio-khellin
Chellin
Corafurone
Coronin
Deltoside
Eskel
Gynokhellan
Interkellin
Interkhellin
Kalangin
Kelamin
Kelicor
Kelicorin
Kelincor
Kellin
Kellina
Kellosal
Keloid
Kelourin
Khelangin
Khelfren
Khelisem
Khellamine
Khellanals
Khellin
Khellinorm
Khelloyd
Lynamine
Medekellin
Mefurina
Methafrone
Norkel
Rykellin
Simeskellina
Vasokellina
Visammimix
Visammin
Viscardan
Visnagalin
Visnagen
khellin
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| Structure |
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| Formula |
C14H12O5
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| Molecular Weight |
260.245
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| Canonical SMILES |
COc1c2ccoc2c(OC)c2oc(C)cc(=O)c12
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| InChI |
InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3
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| InChIKey |
HSMPDPBYAYSOBC-UHFFFAOYSA-N
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| CAS |
82-02-0
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02204, Cytochrome P450 1A1
Protein ID: PT01002, Cytochrome P450 1A2
Protein ID: PT02205, Cytochrome P450 1B1
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4
Clinical Information about the Compound