16-(4-Hydroxyphenyl)-2,9,13-trimethyl-19-methylidene-6-propan-2-yl-15,17-dioxapentacyclo[11.8.0.02,10.05,9.014,18]henicos-4-en-12-ol
| Internal ID | c45a1780-b09e-4591-af75-0b1f6dfd4b09 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 16-(4-hydroxyphenyl)-2,9,13-trimethyl-19-methylidene-6-propan-2-yl-15,17-dioxapentacyclo[11.8.0.02,10.05,9.014,18]henicos-4-en-12-ol |
| SMILES (Canonical) | CC(C)C1CCC2(C1=CCC3(C2CC(C4(C3CCC(=C)C5C4OC(O5)C6=CC=C(C=C6)O)C)O)C)C |
| SMILES (Isomeric) | CC(C)C1CCC2(C1=CCC3(C2CC(C4(C3CCC(=C)C5C4OC(O5)C6=CC=C(C=C6)O)C)O)C)C |
| InChI | InChI=1S/C32H44O4/c1-18(2)22-13-15-30(4)23(22)14-16-31(5)24-12-7-19(3)27-28(32(24,6)26(34)17-25(30)31)36-29(35-27)20-8-10-21(33)11-9-20/h8-11,14,18,22,24-29,33-34H,3,7,12-13,15-17H2,1-2,4-6H3 |
| InChI Key | DYXOLDHDTSPWOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H44O4 |
| Molecular Weight | 492.70 g/mol |
| Exact Mass | 492.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 16-(4-Hydroxyphenyl)-2,9,13-trimethyl-19-methylidene-6-propan-2-yl-15,17-dioxapentacyclo[11.8.0.02,10.05,9.014,18]henicos-4-en-12-ol](https://plantaedb.com/storage/docs/compounds/2023/11/f7764f60-8591-11ee-81b8-017df44abf8b.jpg "2D Structure of 16-(4-Hydroxyphenyl)-2,9,13-trimethyl-19-methylidene-6-propan-2-yl-15,17-dioxapentacyclo[11.8.0.02,10.05,9.014,18]henicos-4-en-12-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.63% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 98.24% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.54% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.15% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.57% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.26% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.25% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.86% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.09% | 95.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.63% | 97.79% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.69% | 97.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.69% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.89% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.13% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.72% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.05% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.29% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.58% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.45% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.35% | 98.03% |
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.
| Anisochilus harmandii |
| Plectranthus lanuginosus |
| Plectranthus punctatus subsp. edulis |
| PubChem | 162814252 |
| LOTUS | LTS0276105 |
| wikiData | Q105188494 |