(2E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
AlkaPlorer ID: AK408391
Synonym: None
IUPAC Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Structure
SMILES: COC1=CC(C2OC3=C(OC)C=C(C=CC(O)=NCCC4=CC=C(O)C=C4)C=C3C2CO)=CC=C1O
InChI: InChI=1S/C28H29NO7/c1-34-24-15-19(6-9-23(24)32)27-22(16-30)21-13-18(14-25(35-2)28(21)36-27)5-10-26(33)29-12-11-17-3-7-20(31)8-4-17/h3-10,13-15,22,27,30-32H,11-12,16H2,1-2H3,(H,29,33)
InChIKey: ICUAPJINGJGHPQ-UHFFFAOYSA-N
Reference
Cytotoxic activity of lignans from Hibiscus cannabinus
PubChem CID: 75251062
CAS: 403647-07-4
LOTUS: LTS0180865
COCONUT: CNP0219018.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hibiscus cannabinus | Hibiscus | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 491.54000000000025
TPSA？: 120.97
MolLogP？: 4.537000000000006
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|