Tatanan B
| Internal ID | 5cdf7762-05d1-4923-a57c-96bd4c7fa72b |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (1R,2S,3S,4R,5R,6S)-1-ethyl-8,11-dimethoxy-2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)spiro[5.5]undeca-7,10-dien-9-one |
| SMILES (Canonical) | CCC1C(C(C(C(C12C=C(C(=O)C=C2OC)OC)C3=CC(=C(C=C3OC)OC)OC)C)C4=CC(=C(C=C4OC)OC)OC)C |
| SMILES (Isomeric) | CC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@]12C=C(C(=O)C=C2OC)OC)C3=CC(=C(C=C3OC)OC)OC)C)C4=CC(=C(C=C4OC)OC)OC)C |
| InChI | InChI=1S/C35H46O9/c1-12-23-19(2)33(21-13-27(39-6)29(41-8)16-25(21)37-4)20(3)34(22-14-28(40-7)30(42-9)17-26(22)38-5)35(23)18-31(43-10)24(36)15-32(35)44-11/h13-20,23,33-34H,12H2,1-11H3/t19-,20+,23+,33-,34+,35+/m0/s1 |
| InChI Key | GKDWKIXAWIIXNJ-SUUQOBMMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H46O9 |
| Molecular Weight | 610.70 g/mol |
| Exact Mass | 610.31418304 g/mol |
| Topological Polar Surface Area (TPSA) | 90.90 Ų |
| XlogP | 6.80 |
| Tatanan C |
| NCGC00488479-01 |
| 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 | 96.08% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.57% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.99% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.80% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.00% | 97.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.32% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.48% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.21% | 85.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.96% | 94.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.55% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.07% | 97.25% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.23% | 93.31% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 80.62% | 94.00% |
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.
| Acorus calamus |