(9R)-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: AK319115

Synonym: None

IUPAC Name: (6aR)-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

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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-/m1/s1

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InChIKey: XQINTCORIZHGFD-CQSZACIVSA-O

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Reference

PubChem CID: 92169951

SuperNatural Ⅲ: SN0437157-02

NPASS: NPC210516

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

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information