Ceanothine B
AlkaPlorer ID: AK009891
Synonym: '', 'Ceanothine B'
IUPAC Name: (2S)-N-[(3S,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-methylpyrrolidine-2-carboxamide
Structure
SMILES: CC(C)[C@@H]1OC2=CC=C(/C=C\N=C(O)[C@H](CC3=CC=CC=C3)N=C(O)[C@H]1N=C(O)[C@@H]1CCCN1C)C=C2
InChI: InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-/t23-,24-,25-,26-/m0/s1
InChIKey: IDZLSIWTJUALRQ-JKNOKTCPSA-N
Reference
CEANOTHUS ALKALOIDS: I. ISOLATION, SEPARATION, AND CHARACTERIZATION
PubChem CID: 5281585
CAS: 19471-43-3
LOTUS: LTS0028583
SuperNatural Ⅲ: SN0143092-03
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceanothus americanus | Ceanothus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 504.63100000000026
TPSA？: 110.24
MolLogP？: 5.0179000000000045
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|