(9S)-3-hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-10-ium
AlkaPlorer ID: AK319502
Synonym: None
IUPAC Name: (6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol
Structure
SMILES: COC1=CC=C2C[C@H]3C4=C(C=C(OC)C(OC)=C4C2=C1O)CC[N+]3(C)C
InChI: InChI=1S/C21H25NO4/c1-22(2)9-8-13-11-16(25-4)21(26-5)19-17(13)14(22)10-12-6-7-15(24-3)20(23)18(12)19/h6-7,11,14H,8-10H2,1-5H3/p+1/t14-/m0/s1
InChIKey: XQINTCORIZHGFD-AWEZNQCLSA-O
Reference
(<i>R</i>)-(+)-Isotembetarine, a Quaternary Alkaloid from <i>Zanthoxylum nitidium</i>
PubChem CID: 161487
CAS: 25342-82-9
LOTUS: LTS0203896
SuperNatural Ⅲ: SN0437157-01
NPASS: NPC259732
Source
Properties Information
Molecule Weight: 356.4420000000001
TPSA？: 47.92
MolLogP？: 3.314700000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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