(+)-Hardwickiic Acid
Internal ID | 4cbb997b-2179-4857-84e1-b8f43c5840d4 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
IUPAC Name | 5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid |
SMILES (Canonical) | CC1CCC2(C(C1(C)CCC3=COC=C3)CCC=C2C(=O)O)C |
SMILES (Isomeric) | CC1CCC2(C(C1(C)CCC3=COC=C3)CCC=C2C(=O)O)C |
InChI | InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22) |
InChI Key | HHWOKJDCJVESIF-UHFFFAOYSA-N |
Popularity | 12 references in papers |
Molecular Formula | C20H28O3 |
Molecular Weight | 316.40 g/mol |
Exact Mass | 316.20384475 g/mol |
Topological Polar Surface Area (TPSA) | 50.40 Ų |
XlogP | 5.60 |
(+)-Hardwickiic Acid |
1782-65-6 |
(4aR)-5beta-[2-(3-Furyl)ethyl]-3,4,4abeta,5,6,7,8,8a-octahydro-5,6alpha,8aalpha-trimethyl-1-naphthalenecarboxylic acid |
Hardwickiic acid, (+)- |
SCHEMBL21914915 |
HHWOKJDCJVESIF-UHFFFAOYSA-N |
(4aS,5R,6S,8aS)-5-(2-(Furan-3-yl)ethyl)-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid |
1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, (4aS,5R,6S,8aS)- |
1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, [4aS-(4a.alpha.,5.alpha.,6.beta.,8a.beta.)]- |
17,19-Dinor-5.beta.,8.beta.H,9.beta.H,10.alpha.-labda-3,13(16),14-trien-18-oic acid, 15,16-epoxy-5,9-dimethyl-, (+)- |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 95.14% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.06% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 93.29% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.92% | 91.11% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.32% | 93.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.90% | 97.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.87% | 83.82% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.23% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.92% | 86.33% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.21% | 90.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.18% | 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.
PubChem | 15559627 |
LOTUS | LTS0087802 |
wikiData | Q105028635 |