(1'R,4S,5R,5'S,6aR,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-5H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,6-dione
| Internal ID | c5d2d2ad-72e7-40f1-b979-2e7eb18f04f1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1'R,4S,5R,5'S,6aR,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-5H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,6-dione |
| SMILES (Canonical) | CC(C)C1=C2C3=C(C(C24CCC5(C4C5)C(C)C)O)C(=O)C6C(CCCC6(C3=C(C1=O)O)C)(C)C |
| SMILES (Isomeric) | CC(C)C1=C2C3=C([C@@H]([C@]24CC[C@]5([C@@H]4C5)C(C)C)O)C(=O)[C@H]6[C@@](C3=C(C1=O)O)(CCCC6(C)C)C |
| InChI | InChI=1S/C30H40O4/c1-14(2)17-20-18-19(26(34)30(20)12-11-29(15(3)4)13-16(29)30)23(32)25-27(5,6)9-8-10-28(25,7)21(18)24(33)22(17)31/h14-16,25-26,33-34H,8-13H2,1-7H3/t16-,25+,26-,28+,29+,30-/m0/s1 |
| InChI Key | OIZBVAFIPJABMK-CKIVVXSCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O4 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of (1'R,4S,5R,5'S,6aR,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-5H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/883f6960-85bd-11ee-ac25-4f0c48d3a8b3.jpg "2D Structure of (1'R,4S,5R,5'S,6aR,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-5H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,6-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.65% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.30% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.11% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.26% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.34% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.97% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.69% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.14% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.09% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.57% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.29% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.68% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.54% | 96.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.19% | 93.03% |
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.
| Cryptomeria japonica |
| PubChem | 162909547 |
| LOTUS | LTS0115585 |
| wikiData | Q105192924 |