(1'S,2S,4S,5'R)-5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde
Internal ID | a334e2e9-42ca-47d5-ab39-9450040670d4 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
IUPAC Name | (1'S,2S,4S,5'R)-5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde |
SMILES (Canonical) | CC(C)CC1CC2(CCC3(C2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O |
SMILES (Isomeric) | CC(C)C[C@H]1C[C@]2(CC[C@@]3([C@H]2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O |
InChI | InChI=1S/C23H30O5/c1-12(2)7-14-8-23(6-5-22(13(3)4)9-17(22)23)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3/t14-,17+,22-,23-/m0/s1 |
InChI Key | DRQVGVASTZKOLP-WCQWESQNSA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H30O5 |
Molecular Weight | 386.50 g/mol |
Exact Mass | 386.20932405 g/mol |
Topological Polar Surface Area (TPSA) | 83.80 Ų |
XlogP | 5.50 |
There are no found synonyms. |
![2D Structure of (1'S,2S,4S,5'R)-5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde 2D Structure of (1'S,2S,4S,5'R)-5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/dcd3d730-853f-11ee-9743-e11ef74683ee.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 90.52% | 98.95% |
CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 89.06% | 98.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.73% | 97.25% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.02% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.41% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.08% | 97.09% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.61% | 93.56% |
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.
Eucalyptus globulus |
PubChem | 58120337 |
LOTUS | LTS0156175 |
wikiData | Q104987582 |