methyl (1S,11S,17R,18R)-18-ethyl-5-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2(7),3,5,9-tetraene-10-carboxylate
AlkaPlorer ID: AK113604
Synonym: None
IUPAC Name: methyl (1S,11S,17R,18R)-18-ethyl-5-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
Structure
SMILES: CC[C@@H]1[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)NC2=CC(O)=CC=C24)[C@@H]13
InChI: InChI=1S/C20H24N2O3/c1-3-12-13-6-8-22-9-7-20(18(12)22)14-5-4-11(23)10-15(14)21-17(20)16(13)19(24)25-2/h4-5,10,12-13,18,21,23H,3,6-9H2,1-2H3/t12-,13+,18-,20-/m1/s1
InChIKey: ILEBWSZOKJHVSX-NGVQZCTJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma quebracho-blanco | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 340.42300000000006
TPSA？: 61.8
MolLogP？: 2.6166
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|