Ceanothine E
AlkaPlorer ID: AK291848
Synonym: α-(Dimethylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]benzenepropanamide
IUPAC Name: 2-(dimethylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
Structure
SMILES: CC(C)CC1N=C(O)C(N=C(O)C(CC2=CC=CC=C2)N(C)C)C(C2=CC=CC=C2)OC2=CC=C(C=CN=C1O)C=C2
InChI: InChI=1S/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)
InChIKey: KCFAADIKGBVBFW-UHFFFAOYSA-N
Reference
Ceanothus alkaloids. II. Peptide alkaloids from Ceanothus americanus
PubChem CID: 590638
LOTUS: LTS0105570
COCONUT: CNP0275919.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceanothus americanus | Ceanothus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 568.7180000000002
TPSA？: 110.24
MolLogP？: 6.616700000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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