Adouetine X
AlkaPlorer ID: AK283362
Synonym: Ceanothamine B
IUPAC Name: N-(7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-4-methylpentanamide
Structure
SMILES: CCC(C)C1N=C(O)C(N=C(O)C(CC(C)C)N(C)C)C(C(C)C)OC2=CC=C(C=CN=C1O)C=C2
InChI: InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)
InChIKey: OMVRKRVDDRUXPW-UHFFFAOYSA-N
Reference
CEANOTHUS ALKALOIDS: I. ISOLATION, SEPARATION, AND CHARACTERIZATION
PubChem CID: 3539505
CAS: 19542-37-1
LOTUS: LTS0071620
COCONUT: CNP0235071.9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceanothus americanus | Ceanothus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Alphitonia macrocarpa | Alphitonia | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 500.6840000000002
TPSA？: 110.24
MolLogP？: 5.703400000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|