Adouetine Y
AlkaPlorer ID: AK034369
Synonym: '', 'Scutianine L', 'Adouetine Y'
IUPAC Name: (2S)-N-[(3S,4S,7S,10Z)-7-[(2R)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-phenylpropanamide
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](CC2=CC=CC=C2)N(C)C)[C@H](C2=CC=CC=C2)OC2=CC=C(/C=C\N=C1O)C=C2
InChI: InChI=1S/C34H40N4O4/c1-5-23(2)29-33(40)35-21-20-24-16-18-27(19-17-24)42-31(26-14-10-7-11-15-26)30(34(41)36-29)37-32(39)28(38(3)4)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/b21-20-/t23-,28+,29+,30+,31+/m1/s1
InChIKey: GVFKEVFAPIUOAI-CBMKCQLQSA-N
Reference
Ceanothus alkaloids. II. Peptide alkaloids from Ceanothus americanus
PubChem CID: 162996761
LOTUS: LTS0170004
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discaria americana | Discaria | 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 |
|---|