Hernandaline; (S)-form, 6a,7-Didehydro
AlkaPlorer ID: AK001234
Synonym: Dehydrohernandaline
IUPAC Name: 4,5-dimethoxy-2-[(4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-5-yl)oxy]benzaldehyde
Structure
SMILES: COC1=CC(C=O)=C(OC2=CC3=CC4=C5C(=CC(OC)=C(OC)C5=C3C=C2OC)CCN4C)C=C1OC
InChI: InChI=1S/C29H29NO7/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/h9-15H,7-8H2,1-6H3
InChIKey: SJEBJFSMCDJHEZ-UHFFFAOYSA-N
Reference
Alkaloids from Hernandia sonora
PubChem CID: 15765197
CAS: 5263-33-2
LOTUS: LTS0043044
COCONUT: CNP0298992
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hernandia sonora | Hernandia | Hernandiaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 503.5510000000004
TPSA？: 75.69000000000001
MolLogP？: 5.633100000000007
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|