Pecrassipine A; (S)-form
AlkaPlorer ID: AK309505
Synonym: None
IUPAC Name: 4-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]benzaldehyde
Structure
SMILES: COC1=CC2=C(C=C1O)C(CC1=CC=C(OC)C(OC3=CC=C(C=O)C=C3)=C1)N(C)CC2
InChI: InChI=1S/C26H27NO5/c1-27-11-10-19-14-25(31-3)23(29)15-21(19)22(27)12-18-6-9-24(30-2)26(13-18)32-20-7-4-17(16-28)5-8-20/h4-9,13-16,22,29H,10-12H2,1-3H3
InChIKey: LQOWQFUDCYSTIS-UHFFFAOYSA-N
Reference
Pecrassipines A and B, Seco-Bisbenzylisoquinoline Alkaloids from Phaeanthus crassipetalus
PubChem CID: 74070740
LOTUS: LTS0052470
COCONUT: CNP0245130.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeanthus crassipetalus | Phaeanthus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 433.5040000000002
TPSA？: 68.23
MolLogP？: 4.785900000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|