8a,11-Bis(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
Internal ID | 27538961-002a-40d0-b70a-45f1d5632887 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 8a,11-bis(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol |
SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CC(C5(C4CC(CC5)(C)CO)CO)O)C)C)C |
SMILES (Isomeric) | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CC(C5(C4CC(CC5)(C)CO)CO)O)C)C)C |
InChI | InChI=1S/C30H50O4/c1-25(2)21-9-12-28(5)22(27(21,4)11-10-23(25)33)8-7-19-20-15-26(3,17-31)13-14-30(20,18-32)24(34)16-29(19,28)6/h7,20-24,31-34H,8-18H2,1-6H3 |
InChI Key | MCZHPIHVRHTCIM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H50O4 |
Molecular Weight | 474.70 g/mol |
Exact Mass | 474.37091007 g/mol |
Topological Polar Surface Area (TPSA) | 80.90 Ų |
XlogP | 5.40 |
There are no found synonyms. |
![2D Structure of 8a,11-Bis(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol 2D Structure of 8a,11-Bis(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol](https://plantaedb.com/storage/docs/compounds/2023/11/e84f6a60-844d-11ee-97c9-9323815d42cf.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 |
---|---|---|---|---|
CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.31% | 90.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.69% | 97.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.37% | 91.11% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 90.08% | 95.93% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.13% | 82.69% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.44% | 94.45% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.50% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.80% | 97.25% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.45% | 95.89% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.26% | 96.61% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.26% | 100.00% |
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.
Primula denticulata |
PubChem | 12305339 |
LOTUS | LTS0061802 |
wikiData | Q105161541 |