CID 4484953
Internal ID | 63562140-d0ad-48b2-9d75-8e18d59b4908 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
IUPAC Name | 16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol |
SMILES (Canonical) | COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O |
SMILES (Isomeric) | COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O |
InChI | InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3 |
InChI Key | LZMRDTLRSDRUSU-UHFFFAOYSA-N |
Popularity | 80 references in papers |
Molecular Formula | C17H14O6 |
Molecular Weight | 314.29 g/mol |
Exact Mass | 314.07903816 g/mol |
Topological Polar Surface Area (TPSA) | 66.40 Ų |
XlogP | 1.70 |
6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6a(12aH)-ol,3-methoxy-, (6aR,12aR)- |
SCHEMBL72620 |
AKOS032948934 |
B0005-476517 |
(1S,12S)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10.0^{4,8.0^{13,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol |
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 | 98.20% | 91.11% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.98% | 96.77% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.64% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.12% | 96.09% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.92% | 94.80% |
CHEMBL2039 | P27338 | Monoamine oxidase B | 94.81% | 92.51% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.81% | 92.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.70% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.29% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.10% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.30% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.24% | 95.89% |
CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 85.28% | 93.24% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.42% | 80.96% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.24% | 90.00% |
CHEMBL240 | Q12809 | HERG | 83.20% | 89.76% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.84% | 99.15% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.82% | 97.36% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.03% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.96% | 99.23% |
CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.54% | 100.00% |
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.
Lathyrus odoratus |
Lathyrus sativus |
Tephrosia candida |
PubChem | 4484953 |
LOTUS | LTS0083969 |
wikiData | Q104252985 |