methyl (1R,11S,12S,17S)-8-formyl-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2(7),3,5,9-tetraene-10-carboxylate
AlkaPlorer ID: AK242238
Synonym: None
IUPAC Name: methyl (1R,11S,12S,17S)-8-formyl-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: COC(=O)C1=C2N(C=O)C3=CC=CC=C3[C@@]23CCN2C[C@@H]([C@H](C)O)[C@@H]1C[C@H]23
InChI: InChI=1S/C21H24N2O4/c1-12(25)14-10-22-8-7-21-15-5-3-4-6-16(15)23(11-24)19(21)18(20(26)27-2)13(14)9-17(21)22/h3-6,11-14,17,25H,7-10H2,1-2H3/t12-,13-,14-,17-,21+/m0/s1
InChIKey: NSWYJPUUYILFCP-KDWDCUOBSA-N
Reference
Na-formylechitamidine, an alkaloid from Alstonia boonei
PubChem CID: 162895080
LOTUS: LTS0185611
SuperNatural Ⅲ: SN0254402-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia boonei | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4330000000001
TPSA？: 70.08
MolLogP？: 1.4327
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|