4-(Chloromethyl)-2,16-didehydro-16-(methoxycarbonyl)condyfolanium
AlkaPlorer ID: AK292318
Synonym: None
IUPAC Name: None
Structure
SMILES: CCC1C2CC[N+]3(CCl)CCC4(C(=C2C(=O)OC)NC2=CC=CC=C24)C13
InChI: InChI=1S/C21H25ClN2O2/c1-3-13-14-8-10-24(12-22)11-9-21(19(13)24)15-6-4-5-7-16(15)23-18(21)17(14)20(25)26-2/h4-7,13-14,19H,3,8-12H2,1-2H3/p+1
InChIKey: ZBCMNADOWLNVRE-UHFFFAOYSA-O
Reference
CAS: 39020-70-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Craspidospermum verticillatum | Craspidospermum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.90400000000005
TPSA？: 38.33
MolLogP？: 3.6221000000000014
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|