methyl (1S,9R,10S,12S,13E,18R)-18-[(acetyloxy)methyl]-13-ethylidene-10-hydroxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadeca-2,4,6-triene-18-carboxylate
AlkaPlorer ID: AK320016
Synonym: None
IUPAC Name: methyl 18-(acetyloxymethyl)-13-ethylidene-10-hydroxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
Structure
SMILES: CC=C1CN2CCC34C5=CC=CC=C5NC23C(O)CC1C4(COC(C)=O)C(=O)OC
InChI: InChI=1S/C23H28N2O5/c1-4-15-12-25-10-9-22-16-7-5-6-8-18(16)24-23(22,25)19(27)11-17(15)21(22,20(28)29-3)13-30-14(2)26/h4-8,17,19,24,27H,9-13H2,1-3H3
InChIKey: RVBBDUUBDPKZFR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plantago major | Plantago | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 412.4860000000003
TPSA？: 88.10000000000001
MolLogP？: 1.8151
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|