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Acronine

PubChem CID: 345512

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Compound Synonyms Acronine, ACRONYCINE, 7008-42-6, Compound 42339, Acromycine, Acronina, NCI-C01536, Acroninum, Acronine [USAN:INN], Acroninum [INN-Latin], Acronina [INN-Spanish], CCRIS 6, NSC 403169, HSDB 7073, NSC403169, 6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one, Acronine (TN), NSC-403169, BRN 0312954, CHEBI:2437, UNII-QE0G097358, Acronycine (Acronine), Acronine (USAN/INN), ACRONINE [HSDB], ACRONINE [USAN], ACRONINE [INN], 6-Methoxy-3,3,12-trimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one, COMPOUND-42339, MLS003171532, DTXSID0020026, 3,12-Dihydro-6-methoxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one, 4-27-00-03622 (Beilstein Handbook Reference), 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-, 7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-, QE0G097358, Acroninum (INN-Latin), Acronina (INN-Spanish), 3,12-dihydro-6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one, 3,12-Dihydro-6-methoxy-6,6,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one, 3,3,12-trimethyl-6-(methyloxy)-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one, 6-methoxy-3,3,12-trimethylpyrano(2,3-c)acridin-7-one, Acronycine, , 6-Methoxy-3,3,12-trimethyl-3,12-dihydro-7H-pyrano(2,3-c)acridin-7-one, ACRONIN, 7H-Pyrano[2,3-c]acridin-7-one,3,12-dihydro-6-methoxy-3,3,12-trimethyl-, DTXCID4026, SCHEMBL11499, CHEMBL285852, NCI-CO1536, BDBM50480253, AKOS040740281, NCI60_003795, SMR001875415, NS00125353, D02378, AM-331/20711033, 3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one, 3,6,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one, Q15633955, 6-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one, 7H-Pyrano[2, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-, 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-7h -pyrano-[2,3-c]acridine-7-one, 3,12-Dihydro-6-methoxy-6,6,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one (9CI)
Topological Polar Surface Area 38.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 543.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q72547, n.a.
Iupac Name 6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Prediction Hob 1.0
Xlogp 3.7
Molecular Formula C20H19NO3
Prediction Swissadme 0.0
Inchi Key SMPZPKRDRQOOHT-UHFFFAOYSA-N
Fcsp3 0.25
Logs -4.707
Rotatable Bond Count 1.0
Logd 3.514
Compound Name Acronine
Prediction Hob Swissadme 0.0
Exact Mass 321.136
Formal Charge 0.0
Monoisotopic Mass 321.136
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 321.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.379697866666667
Inchi InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3
Smiles CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0