(2E)-3-(4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
AlkaPlorer ID: AK489262
Synonym: None
IUPAC Name: 3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Structure
SMILES: COC1=CC(C(O)C(CO)OC2=CC=C(C=CC(O)=NCCC3=CC=C(O)C=C3)C=C2OC)=CC=C1O
InChI: InChI=1S/C28H31NO8/c1-35-24-16-20(7-10-22(24)32)28(34)26(17-30)37-23-11-5-19(15-25(23)36-2)6-12-27(33)29-14-13-18-3-8-21(31)9-4-18/h3-12,15-16,26,28,30-32,34H,13-14,17H2,1-2H3,(H,29,33)
InChIKey: PJAFJMNWVUKNOR-UHFFFAOYSA-N
Reference
Cytotoxic activity of lignans from Hibiscus cannabinus
PubChem CID: 73880584
CAS: 403647-08-5
LOTUS: LTS0248227
COCONUT: CNP0200729.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hibiscus cannabinus | Hibiscus | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 509.5550000000003
TPSA？: 141.20000000000002
MolLogP？: 3.800700000000003
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|