N-Acetylcylindrocarpinol
AlkaPlorer ID: AK002017
Synonym: None
IUPAC Name: 1-[(1R,9R,12R,19R)-12-(2-hydroxyethyl)-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Structure
SMILES: CC(=O)N1[C@@H]2CC[C@]3(CCCN4[C@H]3[C@]2(CC4)C5=C1C(=CC=C5)OC)CCO
InChI: InChI=1S/C22H30N2O3/c1-15(26)24-18-7-9-21(11-14-25)8-4-12-23-13-10-22(18,20(21)23)16-5-3-6-17(27-2)19(16)24/h3,5-6,18,20,25H,4,7-14H2,1-2H3/t18-,20-,21-,22-/m1/s1
InChIKey: ZRSBOAUHWZBBQX-ZHHKINOHSA-N
Reference
Alkaloid studies. Part LXI. The structure of twelve new alkaloids from Aspidosperma cylindrocarpon
PubChem CID: 22216839
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma cylindrocarpon | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 370.4930000000001
TPSA？: 53.010000000000005
MolLogP？: 2.6988000000000016
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|