2,7'-Cyclo-3',4,4',5-tetrahydroxy-8,8'-lign-7-ene-9,9'-dioic acid; (7'RS,8'SR)-form, 3',5-Di-Me ether, bis[2-(4-hydroxyphenyl)ethyl]amide
AlkaPlorer ID: AK293863
Synonym: Cannabisin D
IUPAC Name: 7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
Structure
SMILES: COC1=CC(C2C3=CC(O)=C(OC)C=C3C=C(C(=O)NCCC3=CC=C(O)C=C3)C2C(O)=NCCC2=CC=C(O)C=C2)=CC=C1O
InChI: InChI=1S/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)
InChIKey: XYTYRVFKBJENPE-UHFFFAOYSA-N
Reference
Cinnamic acid amides and lignanamides from Aptenia cordifolia
PubChem CID: 73022545
CAS: 144506-19-4
LOTUS: LTS0118541
COCONUT: CNP0205337.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyoscyamus niger | Hyoscyamus | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cannabis sativa | Cannabis | Cannabaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 624.6900000000004
TPSA？: 161.07
MolLogP？: 5.229400000000005
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|