9,10,15,18-Tetrahydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Internal ID | 4a6e4b7d-151a-424e-8f0b-d651648c51e9 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | 9,10,15,18-tetrahydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one |
SMILES (Canonical) | CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)CO |
SMILES (Isomeric) | CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)CO |
InChI | InChI=1S/C20H28O7/c1-9-10-3-4-11-18-8-27-20(26,19(11,14(9)23)15(10)24)16(25)13(18)17(2,7-21)6-5-12(18)22/h10-13,15-16,21-22,24-26H,1,3-8H2,2H3 |
InChI Key | FZOFIVYXNKRMRA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H28O7 |
Molecular Weight | 380.40 g/mol |
Exact Mass | 380.18350323 g/mol |
Topological Polar Surface Area (TPSA) | 127.00 Ų |
XlogP | -1.10 |
There are no found synonyms. |
![2D Structure of 9,10,15,18-Tetrahydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one 2D Structure of 9,10,15,18-Tetrahydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/d5122970-8733-11ee-8313-334713074b8f.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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.44% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.59% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.52% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 92.45% | 98.95% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.38% | 96.61% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.54% | 96.77% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.38% | 94.45% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.72% | 93.04% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.51% | 96.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.81% | 100.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.87% | 96.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.34% | 91.19% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.82% | 95.89% |
CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 80.96% | 90.48% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.53% | 94.75% |
CHEMBL1871 | P10275 | Androgen Receptor | 80.46% | 96.43% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.01% | 92.94% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.00% | 95.56% |
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 parvifolius |
PubChem | 73028758 |
LOTUS | LTS0070716 |
wikiData | Q105005068 |