(1S,2R,2'S,3S)-1,4,5',6,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)spiro[1,2-dihydroindene-3,4'-chromene]-3'-one
Internal ID | 114e1c2c-a6fe-406f-acc4-8bebf13ecaf0 |
Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
IUPAC Name | (1S,2R,2'S,3S)-1,4,5',6,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)spiro[1,2-dihydroindene-3,4'-chromene]-3'-one |
SMILES (Canonical) | C1=CC(=CC=C1C2C(C3=C(C24C(=O)C(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)C(=CC(=C3)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1[C@H]2[C@@H](C3=C([C@@]24C(=O)[C@@H](OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)C(=CC(=C3)O)O)O)O |
InChI | InChI=1S/C29H22O9/c30-15-5-1-13(2-6-15)23-26(36)19-9-17(32)10-20(34)24(19)29(23)25-21(35)11-18(33)12-22(25)38-27(28(29)37)14-3-7-16(31)8-4-14/h1-12,23,26-27,30-36H/t23-,26+,27-,29-/m0/s1 |
InChI Key | SRCVSQMUWRYDDK-HTZSSYRZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H22O9 |
Molecular Weight | 514.50 g/mol |
Exact Mass | 514.12638228 g/mol |
Topological Polar Surface Area (TPSA) | 168.00 Ų |
XlogP | 3.20 |
There are no found synonyms. |
![2D Structure of (1S,2R,2'S,3S)-1,4,5',6,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)spiro[1,2-dihydroindene-3,4'-chromene]-3'-one 2D Structure of (1S,2R,2'S,3S)-1,4,5',6,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)spiro[1,2-dihydroindene-3,4'-chromene]-3'-one](https://plantaedb.com/storage/docs/compounds/2023/11/fa0e41e0-860b-11ee-9bd2-154d29e5723f.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 | 97.75% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.92% | 94.45% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.89% | 93.40% |
CHEMBL3194 | P02766 | Transthyretin | 90.03% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.56% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.91% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.77% | 99.15% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.01% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.30% | 99.23% |
CHEMBL2581 | P07339 | Cathepsin D | 86.07% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.07% | 85.14% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 83.96% | 96.00% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.11% | 85.00% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.11% | 96.12% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.62% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.79% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.39% | 86.33% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.91% | 91.19% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.83% | 94.73% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.30% | 90.93% |
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.
Yucca schidigera |
PubChem | 162903814 |
LOTUS | LTS0148309 |
wikiData | Q105258938 |