Hibaene
| Internal ID | e9670e82-f19b-4f85-88ad-ed31e049e324 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)(C=C4)C)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC34C2CCC(C3)(C=C4)C)C)C |
| InChI | InChI=1S/C20H32/c1-17(2)8-5-9-19(4)15(17)7-11-20-13-12-18(3,14-20)10-6-16(19)20/h12-13,15-16H,5-11,14H2,1-4H3 |
| InChI Key | GXMKKDDGINQVBE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32 |
| Molecular Weight | 272.50 g/mol |
| Exact Mass | 272.250401021 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 7.50 |
| GXMKKDDGINQVBE-UHFFFAOYSA-N |
| 17-Norphylloclad-15-ene, 13-methyl- |
| 17-Nor-8.beta.,13.beta.-kaur-15-ene, 13-methyl- |
| 17-Norkaur-15-ene, 13-methyl-, (8.beta.,13.beta.)- |
| 17-Norkaur-15-ene, 13-methyl-, (5.alpha.,9.alpha.,10.beta.)- |
| (4aS,6aR,9R,11aR,11bS)-4,4,9,11b-tetramethyl-1,2,3,4,4a,5,6,9,10,11,11a,11b-dodecahydro-6a,9-methanocyclohepta[a]naphthalene |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.11% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.06% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.29% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.33% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.71% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.38% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.86% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.13% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.52% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.11% | 94.75% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 83.09% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.96% | 99.18% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.51% | 93.67% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.48% | 92.94% |
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.
| Araucaria araucana |
| Chamaecyparis formosensis |
| Cupressus macrocarpa |
| Lepidothamnus intermedius |
| Prumnopitys andina |
| Thuja standishii |
| Thujopsis dolabrata |
| PubChem | 520750 |
| LOTUS | LTS0122905 |
| wikiData | Q105023194 |