2-[2-hydroxy-3-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-prop-2-enylphenyl]-6-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol
| Internal ID | 481c7333-d0c7-40c8-873f-c73fbe261983 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives |
| IUPAC Name | 2-[2-hydroxy-3-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-prop-2-enylphenyl]-6-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol |
| SMILES (Canonical) | CC1=CC(C(CC1)C(C)C)C2=CC(=CC(=C2O)C3=C(C(=CC(=C3)CC=C)C4C=C(CCC4C(C)C)C)O)CC=C |
| SMILES (Isomeric) | CC1=C[C@H]([C@@H](CC1)C(C)C)C2=CC(=CC(=C2O)C3=C(C(=CC(=C3)CC=C)[C@@H]4C=C(CC[C@H]4C(C)C)C)O)CC=C |
| InChI | InChI=1S/C38H50O2/c1-9-11-27-19-33(31-17-25(7)13-15-29(31)23(3)4)37(39)35(21-27)36-22-28(12-10-2)20-34(38(36)40)32-18-26(8)14-16-30(32)24(5)6/h9-10,17-24,29-32,39-40H,1-2,11-16H2,3-8H3/t29-,30-,31+,32+/m0/s1 |
| InChI Key | QEYQILFFUHBUTP-GASGPIRDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H50O2 |
| Molecular Weight | 538.80 g/mol |
| Exact Mass | 538.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 10.90 |
| There are no found synonyms. |
![2D Structure of 2-[2-hydroxy-3-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-prop-2-enylphenyl]-6-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol](https://plantaedb.com/storage/docs/compounds/2023/11/023933c0-840f-11ee-aacc-dfd25f53dcb4.jpg "2D Structure of 2-[2-hydroxy-3-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-prop-2-enylphenyl]-6-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.18% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.15% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.40% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.49% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.44% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.46% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.61% | 90.71% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.56% | 95.34% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.99% | 99.18% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.59% | 93.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.47% | 99.17% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.89% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.23% | 89.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.52% | 95.58% |
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.
| Cotula coronopifolia |
| Magnolia officinalis |
| PubChem | 15714550 |
| LOTUS | LTS0096516 |
| wikiData | Q105005657 |