Hernandaline; (S)-form
AlkaPlorer ID: AK300225
Synonym: None
IUPAC Name: 4,5-dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]benzaldehyde
Structure
SMILES: COC1=CC(C=O)=C(OC2=CC3=C(C=C2OC)C2=C(OC)C(OC)=CC4=C2C(C3)N(C)CC4)C=C1OC
InChI: InChI=1S/C29H31NO7/c1-30-8-7-16-10-26(35-5)29(36-6)28-19-13-23(33-3)25(11-17(19)9-20(30)27(16)28)37-21-14-24(34-4)22(32-2)12-18(21)15-31/h10-15,20H,7-9H2,1-6H3
InChIKey: HLUNBGMOGGEWFX-UHFFFAOYSA-N
Reference
Hernandia alkaloids. II. Hernandaline, a new, elaborated aporphine structural type
PubChem CID: 10255602
CAS: 10210-99-8
LOTUS: LTS0204127
COCONUT: CNP0286179.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hernandia ovigera | Hernandia | Hernandiaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 505.5670000000004
TPSA？: 75.69000000000001
MolLogP？: 5.086500000000005
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|