(1R,3R,4R,6S,8S,10S,13R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6-triol
Internal ID | 648bab18-3f08-426d-b883-b02afb8b0ba4 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
IUPAC Name | (1R,3R,4R,6S,8S,10S,13R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6-triol |
SMILES (Canonical) | CC1=CC23CC1CCC2C(=C)C4CC(C(C4(C(C3)O)O)(C)C)O |
SMILES (Isomeric) | CC1=C[C@]23C[C@H]1CC[C@H]2C(=C)[C@@H]4C[C@@H](C([C@]4([C@@H](C3)O)O)(C)C)O |
InChI | InChI=1S/C20H30O3/c1-11-8-19-9-13(11)5-6-14(19)12(2)15-7-16(21)18(3,4)20(15,23)17(22)10-19/h8,13-17,21-23H,2,5-7,9-10H2,1,3-4H3/t13-,14+,15+,16+,17-,19-,20+/m1/s1 |
InChI Key | BDIVLMKLYRWORT-ZYODFLDQSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O3 |
Molecular Weight | 318.40 g/mol |
Exact Mass | 318.21949481 g/mol |
Topological Polar Surface Area (TPSA) | 60.70 Ų |
XlogP | 2.30 |
There are no found synonyms. |
![2D Structure of (1R,3R,4R,6S,8S,10S,13R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6-triol 2D Structure of (1R,3R,4R,6S,8S,10S,13R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6-triol](https://plantaedb.com/storage/docs/compounds/2023/11/0abdcbb0-841d-11ee-b7f8-ed0ca6adb4e6.jpg)
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 | 91.40% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.89% | 97.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.14% | 92.94% |
CHEMBL1871 | P10275 | Androgen Receptor | 86.43% | 96.43% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.18% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.48% | 94.45% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.19% | 85.11% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.98% | 95.89% |
CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.59% | 86.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.12% | 97.25% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.78% | 90.17% |
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.
Leucothoe grayana |
PubChem | 101652322 |
LOTUS | LTS0166596 |
wikiData | Q104924279 |