4,8'-Oxylign-7-ene-3,3',4',7',9,9'-hexol; (7E,7'R*,8'R*)-form, 9-Carboxylic acid, 3,3'-di-Me ether, 2-(4-hydroxyphenyl)ethylamide
AlkaPlorer ID: AK309107
Synonym: Cannabisin H
IUPAC Name: (E)-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=C/C(=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)/b12-6+
InChIKey: PJAFJMNWVUKNOR-WUXMJOGZSA-N
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？: 137.71
MolLogP？: 2.9604000000000013
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|