nantenine
AlkaPlorer ID: AK007329
Synonym: '(+)-Nantenine', 'Nantenine', '(+)-Domestine', 'Domestine', '(6aS)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzode1,3benzodioxolo5,6-gquinoline', 'o-Methyldomesticine', 'O-Methyldomesticine', '6a-alpha-Aporphine, 1,2-dimethoxy-9,10-(methylenedioxy)-', 'O-Methyl domesticine'
IUPAC Name: (12S)-18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
Structure
SMILES: COC1=CC2=C3C(=C1OC)C1=CC4=C(C=C1C[C@@H]3N(C)CC2)OCO4
InChI: InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
InChIKey: WSVWKHTVFGTTKJ-AWEZNQCLSA-N
Reference
(+)-N-Methyllaurotetanine-β-N-Oxide from Glossocalyx brevipes
PubChem CID: 197001
CAS: 2565-01-7
LOTUS: LTS0132161
SuperNatural Ⅲ: SN0419101-01
NPASS: NPC302527
data_source: manually
Source
Properties Information
Molecule Weight: 339.3910000000002
TPSA？: 40.16
MolLogP？: 3.184600000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Alpha-1a adrenergic receptor | Ke | 196.0 | nM | 10.1016/j.bmcl.2014.02.066 |
| Homo sapiens | Alpha-1a adrenergic receptor | Ki | 430.0 | nM | 10.1016/j.bmcl.2004.11.032 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Activity | nan | None | 10.1016/j.bmcl.2014.02.066 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Ke | 657.0 | nM | 10.1016/j.bmcl.2014.02.066 |
| None | Unchecked | Ratio Ke | 3.4 | None | 10.1016/j.bmcl.2014.02.066 |