N(4)-Demethylalstonerinal
AlkaPlorer ID: AK020652
Synonym: ''
IUPAC Name: (1S,12S,13R,18R)-3,16-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaene-17-carbaldehyde
Structure
SMILES: CC1=C(C=O)[C@@H]2C[C@@H]3N[C@@H](CC4=C3N(C)C3=CC=CC=C43)[C@@H]2CO1
InChI: InChI=1S/C20H22N2O2/c1-11-15(9-23)13-7-18-20-14(8-17(21-18)16(13)10-24-11)12-5-3-4-6-19(12)22(20)2/h3-6,9,13,16-18,21H,7-8,10H2,1-2H3/t13-,16+,17-,18-/m0/s1
InChIKey: OFYVAURZLGIEIY-NBMRYCAZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia angustifolia | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 322.4080000000001
TPSA？: 43.260000000000005
MolLogP？: 2.8729000000000013
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|