10-Hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
Internal ID | 6c7aa25d-1dc6-4212-a918-adab2607522c |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid |
SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C(=O)O)C)C)C |
SMILES (Isomeric) | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C(=O)O)C)C)C |
InChI | InChI=1S/C30H46O5/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)31)8-7-18-19-17-26(3,23(32)33)13-15-30(19,24(34)35)16-14-28(18,29)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35) |
InChI Key | MCHKKYSPJGWAHQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H46O5 |
Molecular Weight | 486.70 g/mol |
Exact Mass | 486.33452456 g/mol |
Topological Polar Surface Area (TPSA) | 94.80 Ų |
XlogP | 5.80 |
There are no found synonyms. |
![2D Structure of 10-Hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid 2D Structure of 10-Hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3b6c2ec0-8747-11ee-99f8-7b5fe887c374.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 | 92.75% | 96.09% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.60% | 90.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.51% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.90% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.75% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.20% | 91.11% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.40% | 93.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.13% | 91.19% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.59% | 100.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.29% | 96.77% |
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.
Drypetes inaequalis |
Glinus oppositifolius |
Phytolacca octandra |
PubChem | 12315596 |
LOTUS | LTS0049164 |
wikiData | Q105161209 |