5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
Internal ID | 112ff9ae-0730-41a3-b508-e0dcff55dbd8 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | 5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid |
SMILES (Canonical) | CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCCC2(C)CO)C |
SMILES (Isomeric) | CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCCC2(C)CO)C |
InChI | InChI=1S/C20H32O3/c1-14(12-18(22)23)6-8-16-15(2)7-9-17-19(3,13-21)10-5-11-20(16,17)4/h12,16-17,21H,2,5-11,13H2,1,3-4H3,(H,22,23) |
InChI Key | YGILXMANNHJYJZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H32O3 |
Molecular Weight | 320.50 g/mol |
Exact Mass | 320.23514488 g/mol |
Topological Polar Surface Area (TPSA) | 57.50 Ų |
XlogP | 4.90 |
5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid |
DTXSID20413239 |
![2D Structure of 5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid 2D Structure of 5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/b4380a20-85ba-11ee-baca-b7354f6734f8.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.04% | 91.11% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.02% | 83.82% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.44% | 97.25% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.87% | 95.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.58% | 94.45% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.05% | 95.50% |
CHEMBL2061 | P19793 | Retinoid X receptor alpha | 86.76% | 91.67% |
CHEMBL2581 | P07339 | Cathepsin D | 85.82% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.11% | 91.19% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.47% | 95.56% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.59% | 100.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.40% | 100.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.96% | 100.00% |
CHEMBL233 | P35372 | Mu opioid receptor | 81.66% | 97.93% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.15% | 90.17% |
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.
Araucaria angustifolia |
Leiocarpa semicalva |
Olearia teretifolia |
PubChem | 5250034 |
LOTUS | LTS0122846 |
wikiData | Q82221162 |