6,9-Dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
Internal ID | 910f0a36-c228-4e0d-bcd5-b98be38174cc |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
IUPAC Name | 6,9-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione |
SMILES (Canonical) | CC1(C(CC2C3(C1C(OC3)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2)O)C |
SMILES (Isomeric) | CC1(C(CC2C3(C1C(OC3)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2)O)C |
InChI | InChI=1S/C20H26O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3 |
InChI Key | MQOJPNKACWKUGI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H26O6 |
Molecular Weight | 362.40 g/mol |
Exact Mass | 362.17293854 g/mol |
Topological Polar Surface Area (TPSA) | 93.10 Ų |
XlogP | 1.80 |
AKOS032949119 |
FT-0777696 |
B0005-477631 |
(1S,4S,6S,8R,9R,12S,13S,16R)-6,9-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.0^{1,13.0^{4,12.0^{8,12]nonadecane-2,18-dione |
![2D Structure of 6,9-Dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione 2D Structure of 6,9-Dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7aa17c90-85e4-11ee-bc45-a193e65a80c3.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 |
---|---|---|---|---|
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.72% | 97.09% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.86% | 96.38% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.82% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.96% | 95.56% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.44% | 94.75% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.05% | 95.93% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.97% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.49% | 91.11% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.73% | 100.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.23% | 90.17% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.07% | 92.94% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.71% | 97.14% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.64% | 85.11% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.15% | 90.24% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.07% | 95.89% |
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.
Isodon japonicus |
Isodon oresbius |
Isodon sculponeatus |
Isodon serra |
Isodon trichocarpus |
PubChem | 3721623 |
LOTUS | LTS0216087 |
wikiData | Q105170144 |