Ervatamine; 3-Deoxo, 3,14-didehydro
AlkaPlorer ID: AK297727
Synonym: Dehydroxyervataminol
IUPAC Name: methyl 7-ethyl-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),9,13,15,17-pentaene-3-carboxylate
Structure
SMILES: CCC1CN(C)CC2(C(=O)OC)CC3=C(C=CC12)NC1=CC=CC=C31
InChI: InChI=1S/C21H26N2O2/c1-4-14-12-23(2)13-21(20(24)25-3)11-16-15-7-5-6-8-18(15)22-19(16)10-9-17(14)21/h5-10,14,17,22H,4,11-13H2,1-3H3
InChIKey: GNBMEDKSCRELBZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ervatamia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.451
TPSA？: 45.33
MolLogP？: 3.4844000000000026
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|