CID 102004590
AlkaPlorer ID: AK004160
Synonym: None
IUPAC Name: methyl (1R,10S,13E,16S)-13-ethylidene-16-methoxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
Structure
SMILES: C/C=C\1/CN2[C@H]3CC1C([C@]4(C3=NC5=CC=CC=C54)C[C@@H]2OC)C(=O)OC
InChI: InChI=1S/C21H24N2O3/c1-4-12-11-23-16-9-13(12)18(20(24)26-3)21(10-17(23)25-2)14-7-5-6-8-15(14)22-19(16)21/h4-8,13,16-18H,9-11H2,1-3H3/b12-4-/t13?,16-,17-,18?,21-/m0/s1
InChIKey: FNXBCZCMPCVOPU-IMKKEMNLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia scholaris | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.4340000000001
TPSA？: 51.129999999999995
MolLogP？: 2.8263000000000007
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|