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Daurichromene A

PubChem CID: 10043035

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Compound Synonyms DAURICHROMENE A, (2R)-2-((3E)-7-hydroxy-4,8-dimethylnona-3,8-dienyl)-2,7-dimethylchromen-5-ol, (2R)-2-[(3E)-7-hydroxy-4,8-dimethylnona-3,8-dienyl]-2,7-dimethylchromen-5-ol, CHEMBL487206
Topological Polar Surface Area 49.7
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 521.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2R)-2-[(3E)-7-hydroxy-4,8-dimethylnona-3,8-dienyl]-2,7-dimethylchromen-5-ol
Prediction Hob 0.0
Xlogp 5.7
Molecular Formula C22H30O3
Prediction Swissadme 0.0
Inchi Key WZLRGCNVNAHRNP-HKXAYFEUSA-N
Fcsp3 0.4545454545454545
Logs -4.652
Rotatable Bond Count 7.0
Logd 4.296
Compound Name Daurichromene A
Prediction Hob Swissadme 0.0
Exact Mass 342.219
Formal Charge 0.0
Monoisotopic Mass 342.219
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 342.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 1.0
Esol -5.257369800000001
Inchi InChI=1S/C22H30O3/c1-15(2)19(23)9-8-16(3)7-6-11-22(5)12-10-18-20(24)13-17(4)14-21(18)25-22/h7,10,12-14,19,23-24H,1,6,8-9,11H2,2-5H3/b16-7+/t19?,22-/m1/s1
Smiles CC1=CC(=C2C=C[C@@](OC2=C1)(C)CC/C=C(\C)/CCC(C(=C)C)O)O
Nring 2.0
Defined Bond Stereocenter Count 1.0