Malabaricano
Internal ID | f8222825-6a3e-40f0-a67c-194cceeab82d |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,7-epoxylignans |
IUPAC Name | 4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol |
SMILES (Canonical) | CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
SMILES (Isomeric) | CC1C(C(OC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
InChI | InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3 |
InChI Key | GMXMKSFJQLFOSO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H24O5 |
Molecular Weight | 344.40 g/mol |
Exact Mass | 344.16237386 g/mol |
Topological Polar Surface Area (TPSA) | 68.20 Ų |
XlogP | 3.70 |
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol |
Calophyllin |
Malabaricanol |
83198-63-4 |
Tetrahydrofuroguaiacin A |
Compound NP-011209 |
(2a,3b,4b,5a)-form |
SCHEMBL13506165 |
CHEBI:174641 |
AKOS040739181 |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 98.72% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.52% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.58% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.66% | 95.56% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.71% | 91.49% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.66% | 99.15% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.63% | 90.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.36% | 92.94% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.13% | 94.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.04% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.96% | 99.17% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.67% | 85.14% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.06% | 89.62% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.62% | 97.14% |
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.
Bicuiba oleifera |
Endiandra anthropophagorum |
Iryanthera juruensis |
Jatropha grossidentata |
Knema furfuracea |
Leucas aspera |
Machilus thunbergii |
Myristica argentea |
Myristica fragrans |
Saururus chinensis |
PubChem | 13870570 |
LOTUS | LTS0082058 |
wikiData | Q104167302 |