4b-Hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one
| Internal ID | 75460ecb-eb50-4b96-be38-ec7fb1478450 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one |
| SMILES (Canonical) | CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O |
| SMILES (Isomeric) | CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O |
| InChI | InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3 |
| InChI Key | ACNHBCIZLNNLRS-UHFFFAOYSA-N |
| Popularity | 4,716 references in papers |
| Molecular Formula | C27H33NO4 |
| Molecular Weight | 435.60 g/mol |
| Exact Mass | 435.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 82.60 Ų |
| XlogP | 3.50 |
| paxillin |
| 2H-1-BENZOPYRANO[5',6':6,7]INDENO[1,2-B]INDOL-3(4BH)-ONE, 5,6,6A,7,12,12B,12C,13,14,14A-DECAHYDRO-4B-HYDROXY-2-(1-HYDROXY-1-METHYLETHYL)-12B,12C-DIMETHYL-, (2R,4BS,6AS,12BS,12CR,14AS)- |
| 4b-Hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one |
| Compound NP-024130 |
| GTPL2309 |
| BDBM86263 |
| ACNHBCIZLNNLRS-UHFFFAOYSA-N |
| 2H-Pyrano(2'',3'':5',6')benz(1',2':6,7)indeno(1,2-b)indol-3(4bH)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2R,4bS,6aS,12bS,12cR,14aS)- |
| AKOS040737282 |
| BS-1489 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 4b-Hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one](https://plantaedb.com/storage/docs/compounds/2023/11/d28f7fa0-86c6-11ee-ab61-f3181f18772f.jpg "2D Structure of 4b-Hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-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 | 99.13% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.16% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.57% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.23% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.36% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.27% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.93% | 99.23% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 92.49% | 94.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.10% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.29% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.10% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.49% | 88.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.16% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.19% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.73% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.84% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.85% | 94.00% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.81% | 95.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.57% | 95.71% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.47% | 94.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.96% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.96% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.82% | 98.75% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.61% | 85.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.60% | 93.04% |
| CHEMBL5028 | O14672 | ADAM10 | 80.78% | 97.50% |
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.
| Lolium perenne |
| PubChem | 4697 |
| LOTUS | LTS0017745 |
| wikiData | Q104909197 |