(-)-Macrocarpal D; Macrocarpal-d
Internal ID | 5fce5525-dbdd-4894-9193-defe7509843a |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
IUPAC Name | 5-[(1R)-1-[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde |
SMILES (Canonical) | CC1CCC(C=C2C1CCC2(C)C(CC(C)C)C3=C(C(=C(C(=C3O)C=O)O)C=O)O)C(C)(C)O |
SMILES (Isomeric) | C[C@@H]1CC[C@H](C=C2[C@@H]1CC[C@]2(C)[C@@H](CC(C)C)C3=C(C(=C(C(=C3O)C=O)O)C=O)O)C(C)(C)O |
InChI | InChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3/t16-,17-,18-,22+,28+/m1/s1 |
InChI Key | VUKIJLQDSQXHDI-HTBABXNNSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C28H40O6 |
Molecular Weight | 472.60 g/mol |
Exact Mass | 472.28248899 g/mol |
Topological Polar Surface Area (TPSA) | 115.00 Ų |
XlogP | 6.20 |
CHEMBL460117 |
HY-N3343 |
AKOS040762009 |
FS-10351 |
CS-0023944 |
![2D Structure of (-)-Macrocarpal D; Macrocarpal-d 2D Structure of (-)-Macrocarpal D; Macrocarpal-d](https://plantaedb.com/storage/docs/compounds/2023/11/-macrocarpal-d-macrocarpal-d.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 | 97.54% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.34% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.85% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.25% | 96.09% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.57% | 93.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.08% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.94% | 94.45% |
CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.37% | 98.05% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.33% | 90.93% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.75% | 100.00% |
CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.53% | 98.11% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.57% | 100.00% |
CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.05% | 83.10% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.99% | 89.00% |
CHEMBL268 | P43235 | Cathepsin K | 82.14% | 96.85% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.23% | 95.89% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.02% | 86.92% |
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.
Eucalyptus globulus |
Eucalyptus macrocarpa |
PubChem | 44566862 |
LOTUS | LTS0126862 |
wikiData | Q104402035 |