Pecrassipine A; (S)-form, Me ether
AlkaPlorer ID: AK309506
Synonym: Vietnamine
IUPAC Name: 4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]benzaldehyde
Structure
SMILES: COC1=C(OC)C=C2C(=C1)CCN(C)C2CC1=CC=C(OC)C(OC2=CC=C(C=O)C=C2)=C1
InChI: InChI=1S/C27H29NO5/c1-28-12-11-20-15-25(31-3)26(32-4)16-22(20)23(28)13-19-7-10-24(30-2)27(14-19)33-21-8-5-18(17-29)6-9-21/h5-10,14-17,23H,11-13H2,1-4H3
InChIKey: GVKQCBQHLFLXGA-UHFFFAOYSA-N
Reference
Pecrassipines A and B, Seco-Bisbenzylisoquinoline Alkaloids from Phaeanthus crassipetalus
PubChem CID: 15071705
LOTUS: LTS0038921
COCONUT: CNP0182280.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeanthus vietnamensis | Phaeanthus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 447.5310000000002
TPSA？: 57.23
MolLogP？: 5.088900000000005
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|