Cannabisin H
| Internal ID | 21ed0c77-8886-4e2e-8cc2-b33573bcaefa |
| Taxonomy | Lignans, neolignans and related compounds |
| 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 |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)OC(CO)C(C3=CC(=C(C=C3)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)OC(CO)C(C3=CC(=C(C=C3)O)OC)O |
| 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) |
| InChI Key | PJAFJMNWVUKNOR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H31NO8 |
| Molecular Weight | 509.50 g/mol |
| Exact Mass | 509.20496695 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.05% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.61% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.80% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.67% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.44% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.08% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.64% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.42% | 94.45% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 93.16% | 89.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.06% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.58% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.77% | 89.00% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.22% | 96.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.45% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.25% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.18% | 95.89% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 86.96% | 97.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.44% | 89.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.21% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.15% | 85.14% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.21% | 95.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.59% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.36% | 96.95% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.79% | 85.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.72% | 97.21% |
| CHEMBL268 | P43235 | Cathepsin K | 80.42% | 96.85% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Hibiscus cannabinus |
| PubChem | 73880584 |
| LOTUS | LTS0248227 |
| wikiData | Q105209820 |