(1R,2S,3R,11R,12R,14R)-10,16-diazaheptacyclo[9.8.2.1¹,¹².0²,¹⁶.0³,¹¹.0³,¹⁴.0⁴,⁹]docosa-4(9),5,7-trien-13-one
AlkaPlorer ID: AK318364
Synonym: None
IUPAC Name: 5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-trien-17-one
Structure
SMILES: O=C1C2CC34CCCN5CC1C1(C6=CC=CC=C6NC21CC3)C54
InChI: InChI=1S/C20H22N2O/c23-16-13-10-18-6-3-9-22-11-14(16)20(17(18)22)12-4-1-2-5-15(12)21-19(13,20)8-7-18/h1-2,4-5,13-14,17,21H,3,6-11H2
InChIKey: RFDVSXYPLPEIGZ-UHFFFAOYSA-N
Reference
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
PubChem CID: 433961
CAS: 6662-83-5
LOTUS: LTS0086074
NPASS: NPC108736
COCONUT: CNP0109444.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia fruticosa | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 306.40900000000016
TPSA？: 32.34
MolLogP？: 2.5657000000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|