This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Euxanthone

PubChem CID: 5281631

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Euxanthone, 529-61-3, 1,7-dihydroxy-9H-xanthen-9-one, 1,7-Dihydroxyxanthone, 1,7-dihydroxyxanthen-9-one, eyxanthone, purrenone, CHEBI:4946, 9H-Xanthen-9-one, 1,7-dihydroxy-, CHEMBL389166, DTXSID00200947, 1,7-Dihydroxy-9H-xanthen-9-one, 9CI, Xanthen-9-one, 1,7-dihydroxy-, 1,7-Dihydroxy-9H-xanthen-9-one, 1,7-Dihydroxyxanthone, DX 1, Euxanthon, 1,7-dihydroxy-xanthen-9-one, QN875WE9R7, SCHEMBL1230282, DTXCID30123438, 1,7-Bis(oxidanyl)xanthen-9-one, AAA52961, HY-N3883, BDBM50268290, AKOS000278034, FS-9979, DA-73264, 9H-Xanthen-9-one, 1,7-dihydroxyxanthone, CS-0024400, 1,7-Dihydroxyxanthone (Euxanthone, Purrenone), AA-504/21163144, NCGC00385409-01!1,7-dihydroxyxanthen-9-one, Q27089350
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1C2CCCCC2CC2CCCCC21
Np Classifier Class Methyl xanthones, Plant xanthones
Deep Smiles Occcccc6)c=O)cco6)cccc6O
Heavy Atom Count 17.0
Classyfire Class Benzopyrans
Description Occurs in Mammea americana (mamey), Platonia insignis (bakuri) and Mangifera indica (mango). Euxanthone is found in fruits and mammee apple.
Scaffold Graph Node Level OC1C2CCCCC2OC2CCCCC21
Classyfire Subclass 1-benzopyrans
Isotope Atom Count 0.0
Molecular Complexity 317.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P35610, n.a., B4URF0, P18031, P14679
Iupac Name 1,7-dihydroxyxanthen-9-one
Prediction Hob 1.0
Class Benzopyrans
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Target Id NPT178, NPT741
Xlogp 2.8
Superclass Organoheterocyclic compounds
Subclass 1-benzopyrans
Gsk 4 400 Rule True
Molecular Formula C13H8O4
Scaffold Graph Node Bond Level O=c1c2ccccc2oc2ccccc12
Prediction Swissadme 0.0
Inchi Key KDXFPEKLLFWHMN-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.0
Logs -3.417
Rotatable Bond Count 0.0
State Solid
Logd 2.591
Synonyms 1,7-dihydroxy-9H-xanthen-9-one, 1,7-Dihydroxy-9H-xanthen-9-one, 9CI, 1,7-Dihydroxyxanthone, 9H-Xanthen-9-one, 1,7-dihydroxy-, Euxanthone, Eyxanthone, Purrenone, 1,7-Dihydroxy-9H-xanthen-9-one, 1,7-Dihydroxy-9H-xanthen-9-one, 9ci, 1,7,-dihydroxyxanthone, 1,7- dihydroxyxanthone, 1,7-dihydroxy-xanthones, 1,7-dihydroxyxanthone, 1,7-dihydroxyxanthone (euxanthone), euxanthone
Substituent Name Xanthone, Chromone, Pyranone, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous acid, Oxacycle, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound
Esol Class Soluble
Functional Groups c=O, cO, coc
Compound Name Euxanthone
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 228.042
Formal Charge 0.0
Monoisotopic Mass 228.042
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 228.2
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.9747703647058827
Inchi InChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-6,14-15H
Smiles C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Xanthones
Np Classifier Superclass Xanthones