General Information of the Compound
| Compound ID |
CP0466255
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| Compound Name |
4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
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| Synonyms |
Abn-CBD
CAY10429
abnormal cannabidiol
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| Structure |
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| Formula |
C21H30O2
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| Molecular Weight |
314.469
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| Canonical SMILES |
CCCCCc1cc(O)cc(O)c1[C@@H]1C=C(C)CC[C@H]1C(C)=C
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| InChI |
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1
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| InChIKey |
YWEZXUNAYVCODW-RBUKOAKNSA-N
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| CAS |
22972-55-0
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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: PT05453, G-protein coupled receptor 55
Protein ID: PT06110, N-arachidonyl glycine receptor
Clinical Information about the Compound