(1R,10S,12S)-5,13,13-trimethyl-9,18-dioxapentacyclo[8.6.2.12,6.01,12.010,19]nonadeca-2(19),3,5,15-tetraen-14-one
Internal ID | 855f6663-f87a-46fe-8374-363978371b4e |
Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
IUPAC Name | (1R,10S,12S)-5,13,13-trimethyl-9,18-dioxapentacyclo[8.6.2.12,6.01,12.010,19]nonadeca-2(19),3,5,15-tetraen-14-one |
SMILES (Canonical) | CC1=C2CCOC34C2=C(C=C1)C5(CO3)C=CC(=O)C(C5C4)(C)C |
SMILES (Isomeric) | CC1=C2CCO[C@]34C2=C(C=C1)[C@@]5(CO3)C=CC(=O)C([C@H]5C4)(C)C |
InChI | InChI=1S/C20H22O3/c1-12-4-5-14-17-13(12)7-9-22-20(17)10-15-18(2,3)16(21)6-8-19(14,15)11-23-20/h4-6,8,15H,7,9-11H2,1-3H3/t15-,19+,20+/m1/s1 |
InChI Key | VEGZIMIXOLNWKO-XPGWFJOJSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H22O3 |
Molecular Weight | 310.40 g/mol |
Exact Mass | 310.15689456 g/mol |
Topological Polar Surface Area (TPSA) | 35.50 Ų |
XlogP | 2.90 |
There are no found synonyms. |
![2D Structure of (1R,10S,12S)-5,13,13-trimethyl-9,18-dioxapentacyclo[8.6.2.12,6.01,12.010,19]nonadeca-2(19),3,5,15-tetraen-14-one 2D Structure of (1R,10S,12S)-5,13,13-trimethyl-9,18-dioxapentacyclo[8.6.2.12,6.01,12.010,19]nonadeca-2(19),3,5,15-tetraen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/8e074310-85d2-11ee-a4d5-cd87e0862127.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 |
---|---|---|---|---|
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.43% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.38% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.61% | 95.56% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.67% | 93.40% |
CHEMBL2581 | P07339 | Cathepsin D | 91.01% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.57% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.23% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.77% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.32% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.33% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.44% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.20% | 94.45% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.90% | 93.65% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.67% | 96.09% |
CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.64% | 96.39% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.51% | 94.73% |
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.
Vellozia compacta |
PubChem | 163097113 |
LOTUS | LTS0182029 |
wikiData | Q105284593 |