Cannabisin D
AlkaPlorer ID: AK026310
Synonym: None
IUPAC Name: (1R,2S)-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([C@@H]2C3=CC(O)=C(OC)C=C3C=C(C(=O)NCCC3=CC=C(O)C=C3)[C@H]2C(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)/t33-,34-/m1/s1
InChIKey: XYTYRVFKBJENPE-KKLWWLSJSA-N
Reference
Lignanamides and Nonalkaloidal Components of <i>Hyoscyamus </i><i>n</i><i>iger</i> Seeds
PubChem CID: 44584134
LOTUS: LTS0095202
SuperNatural Ⅲ: SN0443678-03
NPASS: NPC124626
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyoscyamus niger | Hyoscyamus | Solanaceae | Solanales | 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 |
|---|---|---|---|---|---|
| Homo sapiens | LNCaP | IC50 | 81000.0 | nM | 10.1021/np010073b |