Cylindrocarine; (+)-form, 20-Epimer, demethoxy, N-benzoyl
AlkaPlorer ID: AK293959
Synonym: N-Benzoyldemethoxycylindrocarine
IUPAC Name: methyl 2-(8-benzoyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-12-yl)acetate
Structure
SMILES: COC(=O)CC12CCCN3CCC4(C5=CC=CC=C5N(C(=O)C5=CC=CC=C5)C4CC1)C32
InChI: InChI=1S/C27H30N2O3/c1-32-23(30)18-26-13-7-16-28-17-15-27(25(26)28)20-10-5-6-11-21(20)29(22(27)12-14-26)24(31)19-8-3-2-4-9-19/h2-6,8-11,22,25H,7,12-18H2,1H3
InChIKey: KBYSLFAJKDGRQX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma cylindrocarpon | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 430.5480000000002
TPSA？: 49.85
MolLogP？: 4.164800000000004
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|