methyl (1S,12R,19R)-12-ethyl-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
AlkaPlorer ID: AK219250
Synonym: None
IUPAC Name: methyl (1S,12R,19R)-12-ethyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: CC[C@@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)N(C)C1=CC=CC=C14)[C@H]32
InChI: InChI=1S/C22H28N2O2/c1-4-21-10-7-12-24-13-11-22(20(21)24)16-8-5-6-9-17(16)23(2)18(22)15(14-21)19(25)26-3/h5-6,8-9,20H,4,7,10-14H2,1-3H3/t20-,21-,22-/m1/s1
InChIKey: ZGZYTLPCBNDYNE-YPAWHYETSA-N
Reference
Alkaloide ausVinca minor L. Vincadin, Minovin und Vincorin
PubChem CID: 12185984
LOTUS: LTS0067024
SuperNatural Ⅲ: SN0470144-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vinca minor | Vinca | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.47800000000007
TPSA？: 32.78
MolLogP？: 3.4695000000000027
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|