| Phytochemical Name : Securinine |
| PCNDIDS0071 |
| Pubchem CID : 442872 |
| Molecular formula: C13H15NO2 |
| Canonical SMILES : C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4 |
Synonymes : Securinine|5610-40-2|(-)-Securinine|Securinin|Securinan-11-one|Securininum|Securinina|l-Securinine|Securinine [INN]|(6S,11aR,11bS)-9,10,11,11a-Tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one|UNII-G4VS580P5E|Securinine, (-)-|G4VS580P5E|DTXSID7045944|NSC 107413|NSC-107413|Virosecurinine|CHEBI:9079|(6S,11aR,11bS)-9,10,11,11a-Tetrahydro-8H-6,11b-methanofuro(2,3-c)pyrido(1,2-a)azepin-2(6H)-one|DTXCID5025944|Securininum [INN-Latin]|Securinina [INN-Spanish]|2-Oxo-2,6,9,10,11,11a-hexahydro-8H-6,11b-methanofuro(2,3-c)pyrido(1,2-a)azepin|Viroallosecurinine|NSC 107414|rel-(6S,11AR,11bS)-6,8,9,10,11,11a-hexahydro-2H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2-one|NSC107413|(a?-Securinine|rac-(1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.0~1,11~.0~2,7~]pentadeca-9,11-dien-13-one|NCGC00095172-01|CAS-5610-40-2|SECURININE [MI]|Spectrum2_000669|Spectrum3_001977|UPCMLD-DP039|SECURININE [WHO-DD]|BSPBio_003577|MLS006011461|SCHEMBL892754|SPECTRUM1505334|SPBio_000737|CHEMBL303062|Securinine, >=98% (HPLC)|UPCMLD-DP039:001|KBio3_002957|HMS1922D22|HMS3886H20|Pharmakon1600-01505334|HY-N2079|Tox21_111468|CCG-40031|MFCD03225476|NSC758972|STK256368|AKOS000265560|NSC-758972|(1S,8S,14R)-2-oxa-9-azatetracyclo[6.6.1.0<1,5>.0<9,14>]pentadeca-4,6-dien-3-on e|NCGC00017322-02|NCGC00017322-03|NCGC00017322-04|NCGC00017322-05|NCGC00142506-01|NCGC00142506-03|NCGC00142506-04|BS-17623|SMR000542846|SBI-0207079.P001|CS-0018584|S9249|AB00643342_02|EN300-19767685|Q4413415|BRD-K49071277-001-02-1|BRD-K49071277-001-03-9|(1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.0~1,11~.0~2,7~]pentadeca-9,11-dien-13-one|(1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one|(1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.0^{1,11}.0^{2,7}]pentadeca-9,11-dien-13-one|(6S,11aR,11bS)-9,10,11,11a-Tetrahydro-8H-6,11b-methanofuro[2,3-c]-pyrido[1,2-a]azepin-2(6H)-one|6,10-METHANOPYRIDO(1,2-A)AZEPINE-.GAMMA.9(6H),.ALPHA.-ACETIC ACID,1,2,3,4,10,10A-HEXAHYDRO-10-HYDROXY-, .GAMMA.-LACTONE|6,10-METHANOPYRIDO(1,2-A)AZEPINE-gamma9(6H),alpha-ACETIC ACID,1,2,3,4,10,10A-HEXAHYDRO-10-HYDROXY-, gamma-LACTONE |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.370 |
| Log Po/w (XLOGP3) : 1.100 |
| Log Po/w (WLOGP) : 1.020 |
| Log Po/w (MLOGP) : 1.950 |
| Log Po/w (SILICOS-IT) : 1.350 |
| Consensus Log Po/w : 1.560 |

