(12S)-17,18,19-trimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2(10),3,8,16,18-hexaene
AlkaPlorer ID: AK223923
Synonym: None
IUPAC Name: (12S)-17,18,19-trimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaene
Structure
SMILES: COC1=C2CCN[C@H]3CC4=CC5=C(C=C4C(=C23)C(OC)=C1OC)OCO5
InChI: InChI=1S/C20H21NO5/c1-22-18-11-4-5-21-13-6-10-7-14-15(26-9-25-14)8-12(10)17(16(11)13)19(23-2)20(18)24-3/h7-8,13,21H,4-6,9H2,1-3H3/t13-/m0/s1
InChIKey: BRFSQLJZEXODAM-ZDUSSCGKSA-N
Reference
Secondary and tertiary isoquinoline alkaloids from Xylopia parviflora
PubChem CID: 163009713
LOTUS: LTS0212158
SuperNatural Ⅲ: SN0033267-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylopia parviflora | Xylopia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.39000000000016
TPSA？: 58.18000000000001
MolLogP？: 2.851000000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|