sideroxylonal A
Internal ID | 8fab029e-dd93-422a-8b85-f367c0e55629 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids |
IUPAC Name | (2R,3R,4S)-2-(3,5-diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-2H-chromene-6,8-dicarbaldehyde |
SMILES (Canonical) | CC(C)CC1C(C(OC2=C(C(=C(C(=C12)O)C=O)O)C=O)C3=C(C(=C(C(=C3O)C=O)O)C=O)O)C(C)C |
SMILES (Isomeric) | CC(C)C[C@H]1[C@H]([C@@H](OC2=C(C(=C(C(=C12)O)C=O)O)C=O)C3=C(C(=C(C(=C3O)C=O)O)C=O)O)C(C)C |
InChI | InChI=1S/C26H28O10/c1-10(2)5-12-17(11(3)4)26(19-23(34)13(6-27)20(31)14(7-28)24(19)35)36-25-16(9-30)21(32)15(8-29)22(33)18(12)25/h6-12,17,26,31-35H,5H2,1-4H3/t12-,17+,26+/m0/s1 |
InChI Key | PHQDMQGEKNBIPF-FLFOAQQMSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C26H28O10 |
Molecular Weight | 500.50 g/mol |
Exact Mass | 500.16824709 g/mol |
Topological Polar Surface Area (TPSA) | 179.00 Ų |
XlogP | 5.00 |
145382-68-9 |
CHEMBL453012 |
(2R,3R,4S)-2-(3,5-diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-2H-chromene-6,8-dicarbaldehyde |
D0WX7S |
3-epi-Sideroxylonal B; 4-epi-Sideroxylonal C; 8-Formylloxophlebal A |
BDBM50241599 |
AKOS032948111 |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 |
3300 nM |
IC50 |
PMID: 10075775
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.64% | 95.56% |
CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.06% | 98.11% |
CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.20% | 83.10% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.73% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.56% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.76% | 86.92% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.38% | 93.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.11% | 95.89% |
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.
Bombax ceiba |
Eucalyptus albens |
Eucalyptus grandis |
Eucalyptus loxophleba |
Eucalyptus sideroxylon |
PubChem | 10391273 |
NPASS | NPC285659 |
ChEMBL | CHEMBL453012 |
LOTUS | LTS0036194 |
wikiData | Q105209157 |