(12S,13S)-13-hydroxy-7-methoxy-11,11-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-11-ium
AlkaPlorer ID: AK415965
Synonym: None
IUPAC Name: (12S,13S)-7-methoxy-11,11-dimethyl-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-13-ol
Structure
SMILES: COC1=C2CC[N+](C)(C)[C@H]3C2=C(C2=CC=CC=C2[C@@H]3O)C2=C1OCO2
InChI: InChI=1S/C20H22NO4/c1-21(2)9-8-13-14-15(19-20(18(13)23-3)25-10-24-19)11-6-4-5-7-12(11)17(22)16(14)21/h4-7,16-17,22H,8-10H2,1-3H3/q+1/t16-,17-/m0/s1
InChIKey: IUUANAXXYBIVEJ-IRXDYDNUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia odorata | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 340.39900000000017
TPSA？: 47.92
MolLogP？: 2.811500000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|