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Meranzin hydrate

PubChem CID: 5070783

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Compound Synonyms Meranzin hydrate, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one, 5673-37-0, 2H-1-Benzopyran-2-one, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-, HMS2269D15, 8-(2,3-Dihydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one, SCHEMBL50013, MLS000877031, CHEMBL433093, MEGxp0_000217, ACon1_000705, DTXSID60408023, CHEBI:181662, KGGUASRIGLRPAX-UHFFFAOYSA-N, AKOS032948394, PD125348, SMR000440691, XM163793, AN-668/21246023, 7-methoxy-8-(2',3'-dihydroxy-isopentyl)-coumarin, BRD-A09581883-001-01-7, 7-methoxy-8-(2',3'-dihydroxy-3'-methylbutyl)coumarin, Coumarin, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-
Topological Polar Surface Area 76.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 390.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id B2RXH2, P83916, O89049
Iupac Name 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
Prediction Hob 1.0
Class Coumarins and derivatives
Target Id NPT48
Xlogp 1.5
Superclass Phenylpropanoids and polyketides
Molecular Formula C15H18O5
Prediction Swissadme 1.0
Inchi Key KGGUASRIGLRPAX-UHFFFAOYSA-N
Fcsp3 0.4
Logs -2.275
Rotatable Bond Count 4.0
Logd 1.164
Synonyms Meranzin hydric acid
Compound Name Meranzin hydrate
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 278.115
Formal Charge 0.0
Monoisotopic Mass 278.115
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 278.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -1.5265847999999997
Inchi InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3
Smiles CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Coumarins and derivatives