| Phytochemical Name : Himbacine |
| PCNDIDH0034 |
| Pubchem CID : 6436265 |
| Molecular formula: C22H35NO2 |
| Canonical SMILES : CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C |
Synonymes : Himbacine|(+)-himbacine|6879-74-9|NSC 23969|UNII-M17C7V122D|CHEBI:5720|CHEMBL277642|M17C7V122D|C22H35NO2|Naphtho(2,3-c)furan-1(3H)-one, decahydro-4-(2-(1,6-dimethyl-2-piperidinyl)ethenyl)-3-methyl-,(3S-(3-alpha,3a-alpha,4-beta(1E,2(2R*,6S*)),4a-beta,8a-alpha,9a-alpha))-|NSC-23969|(3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one|HIMBACIN|HIMBACINE [MI]|D06ACX|GTPL324|SCHEMBL194692|DTXSID401027483|BDBM50076089|CCG-208219|NCGC00163249-01|LS-95329|SR-05000002338|Q5765204|SR-05000002338-2|4-[2-(1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one|(1S,3aS,4aR,8aS,9R,9aR)-9-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-naphtho[3,2-c]furan-3-one|(3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methyl-6-(S)-methyl-piperidin-2-yl)-vinyl]-decahydro-naphtho[2,3-c]furan-1-one|(3S,3AR,4R,4AS,8AR,9AS)-4-((1E)-2-((2R,6S)-1,6-DIMETHYL-2-PIPERIDINYL)ETHENYL)DECAHYDRO-3-METHYLNAPHTHO(2,3-C)FURAN-1(3H)-ONE|(3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one|(3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-[(2R,6S)-1,6-dimethyl-2-piperidyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]isobenzofuran-1-one|(3S,3aR,4R,4aS,8aR,9aS)-4-[2-((3S,5R)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one|(3S,3aR,4R,4aS,8aR,9aS)-4-{(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one|4-[2-[1,6-dimethyl-(2R,6S)-hexahydro-2-pyridinyl]-(E)-1-ethenyl]-3-methyl-(3S,3aR,4R,4aS,8aR,9aS)-perhydrobenzo[f]isobenzofuran-1-one|NAPHTHO(2,3-C)FURAN-1(3H)-ONE, 4-((1E)-2-((2R,6S)-1,6-DIMETHYL-2-PIPERIDINYL)ETHENYL)DECAHYDRO-3-METHYL-, (3S,3AR,4R,4AS,8AR,9AS)-|Naphtho[2,3-c]furan-1(3H)-one, 4-[(1E)-2-[(2R,6S)-1,6-dimethyl-2-piperidinyl]ethenyl]decahydro-3-methyl-(3S,3aR,4R,4aS,8aR,9aS)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.860 |
| Log Po/w (XLOGP3) : 5.050 |
| Log Po/w (WLOGP) : 4.040 |
| Log Po/w (MLOGP) : 4.200 |
| Log Po/w (SILICOS-IT) : 3.360 |
| Consensus Log Po/w : 4.100 |

