Americine
AlkaPlorer ID: AK284158
Synonym: N-[7-(1H-Indol-3-ylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl-2-(methylamino)butanamide
IUPAC Name: N-[7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)butanamide
Structure
SMILES: CNC(C(O)=NC1C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NC=CC2=CC=C(C=C2)OC1C(C)C)C(C)C
InChI: InChI=1S/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)
InChIKey: SBDJWBSJRCPRDV-UHFFFAOYSA-N
Reference
Ceanothus alkaloids. Americine
PubChem CID: 3539508
CAS: 18867-84-0
LOTUS: LTS0236896
COCONUT: CNP0310549.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceanothus americanus | Ceanothus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 545.6840000000002
TPSA？: 134.82
MolLogP？: 5.649000000000005
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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