(5aS,10aS)-1,3,8,10a-tetrahydroxy-5a-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[1]benzofuro[3,2-b]chromen-11-one
| Internal ID | 16e64d5b-79a3-4189-9839-a3e0fbe148c4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (5aS,10aS)-1,3,8,10a-tetrahydroxy-5a-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[1]benzofuro[3,2-b]chromen-11-one |
| SMILES (Canonical) | CC(=CCCC(=CCCC(=CCC12C3=C(C=C(C=C3)O)OC1(C(=O)C4=C(C=C(C=C4O2)O)O)O)C)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC/C(=C\C[C@]12C3=C(C=C(C=C3)O)O[C@@]1(C(=O)C4=C(C=C(C=C4O2)O)O)O)/C)/C)C |
| InChI | InChI=1S/C30H34O7/c1-18(2)7-5-8-19(3)9-6-10-20(4)13-14-29-23-12-11-21(31)16-25(23)37-30(29,35)28(34)27-24(33)15-22(32)17-26(27)36-29/h7,9,11-13,15-17,31-33,35H,5-6,8,10,14H2,1-4H3/b19-9+,20-13-/t29-,30+/m0/s1 |
| InChI Key | CPWWQVCCRBAKMX-FRWKPNCYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O7 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of (5aS,10aS)-1,3,8,10a-tetrahydroxy-5a-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[1]benzofuro[3,2-b]chromen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/cffb5300-8600-11ee-97e1-7dfea05305d6.jpg "2D Structure of (5aS,10aS)-1,3,8,10a-tetrahydroxy-5a-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[1]benzofuro[3,2-b]chromen-11-one")
| 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 | 99.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.54% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.19% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.33% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.35% | 92.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.71% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.72% | 93.10% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.26% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.76% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.42% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.04% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.11% | 96.09% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.05% | 80.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.43% | 90.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.46% | 82.38% |
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.
| Morus cathayana |
| PubChem | 162976554 |
| LOTUS | LTS0255549 |
| wikiData | Q104967812 |