(1S)-16,17-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2(10),3,8,15(20),16,18-hexaen-13-ium
AlkaPlorer ID: AK318946
Synonym: None
IUPAC Name: (1S,13S)-16,17-dimethoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Structure
SMILES: COC1=CC=C2C[C@H]3C4=CC5=C(C=C4CC[N@@+]3(C)CC2=C1OC)OCO5
InChI: InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22-/m0/s1
InChIKey: IPABSWBNWMXCHM-JTSKRJEESA-N
Reference
Neutral compounds and alkaloids of Zanthoxylum ocumarense
PubChem CID: 5460122
LOTUS: LTS0024394
SuperNatural Ⅲ: SN0151443-02
NPASS: NPC193098
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia prostrata | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ramaria flava | Ramaria | Gomphaceae | Gomphales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 354.4260000000001
TPSA？: 36.92
MolLogP？: 3.232600000000001
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|