General Information of the Compound
| Compound ID |
CP0077617
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| Compound Name |
(1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-18-en-16-amine
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| Synonyms |
((2S,5S,12S,16S,1R,9R,13R)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.0<
2,9>
3beta-(Dimethylamino)con-5-ene
5, 9>
546-06-5
BRN 4702160
CHEBI:27965
CONESSINE
Con-5-enine, 3.beta.-(dimethylamino)-
Conesina
Conesina [INN-Spanish]
Conessin
Conessine [INN]
Conessinum
Conessinum [INN-Latin]
DSSTox_CID_26000
DSSTox_GSID_46000
DSSTox_RID_81281
EINECS 208-897-2
EZ38J9BBDF
GPLGAQQQNWMVMM-MYAJQUOBSA-N
Konessin
N,N-dimethylcon-5-enin-3beta-amine
NSC 119994
Neriine
Roquessine
ST066907
UNII-EZ38J9BBDF
Wrightine
conessine
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| Structure |
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| Formula |
C24H40N2
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| Molecular Weight |
356.598
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| Canonical SMILES |
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C
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| InChI |
InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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| InChIKey |
GPLGAQQQNWMVMM-MYAJQUOBSA-N
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| CAS |
546-06-5
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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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor
Clinical Information about the Compound