1-[5-hydroxy-4-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-yl]-2-methylpropane-1,2-diol
Internal ID | 1a0bd515-140a-486d-b1f2-c97a80a3cd05 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 1-[5-hydroxy-4-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-yl]-2-methylpropane-1,2-diol |
SMILES (Canonical) | CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(OC5O)C(C(C)(C)O)O)C)C)C)O)C |
SMILES (Isomeric) | CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(OC5O)C(C(C)(C)O)O)C)C)C)O)C |
InChI | InChI=1S/C30H50O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-25,31-34H,9-16H2,1-7H3 |
InChI Key | IKJQENAHDRKFKL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H50O5 |
Molecular Weight | 490.70 g/mol |
Exact Mass | 490.36582469 g/mol |
Topological Polar Surface Area (TPSA) | 90.20 Ų |
XlogP | 5.00 |
25278-95-9 |
![2D Structure of 1-[5-hydroxy-4-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-yl]-2-methylpropane-1,2-diol 2D Structure of 1-[5-hydroxy-4-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-yl]-2-methylpropane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2684f0c0-859f-11ee-a8e6-e79f20252de9.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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.43% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.01% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.78% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.09% | 100.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.88% | 82.69% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.27% | 96.77% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.96% | 97.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.60% | 95.56% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.24% | 89.05% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.08% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.43% | 94.45% |
CHEMBL1871 | P10275 | Androgen Receptor | 83.32% | 96.43% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.67% | 100.00% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.22% | 96.21% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.01% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.86% | 89.00% |
CHEMBL5028 | O14672 | ADAM10 | 80.70% | 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.
Melia azedarach |
PubChem | 15560454 |
LOTUS | LTS0121608 |
wikiData | Q105114696 |