10429214 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 12 13 14 15 15 16 17 17 18 19 20 21 22 22 23 23 24 25 26 27 10 15 11 17 12 18 13 19 14 33 20 34 21 35 24 36 25 37 11 12 13 14 16 16 18 20 28 19 22 23 21 26 27 25 29 24 30 26 27 31 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 2 1 1 2 2 2 1 1 1 1 1 1 2 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 7.9271 6.1832 9.7192 6.1832 9.6752 7.9367 4.3576 11.5514 2.5381 7.9432 7.0772 8.8092 7.0772 8.8092 8.8252 7.9432 5.2772 9.7272 5.2772 8.8084 4.346 4.346 10.6751 10.6835 3.4022 9.7439 3.4022 7.9432 4.3532 11.2085 9.7415 2.8665 9.6752 7.9295 3.8242 11.5538 2 -0.8494 0.1574 0.1852 2.2267 2.1921 -2.952 3.2697 -2.9659 0.1462 0.1921 0.6921 0.6921 1.6921 1.6921 -1.3772 2.1921 0.6713 -0.8564 1.7129 -2.462 2.2698 0.1143 -1.3843 -2.4693 0.6496 -3.0118 1.7346 2.8121 -0.5056 -1.0681 -3.6318 2.0466 2.8121 -3.572 3.5859 -3.5859 0.4542 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 4 4 10 10 11 12 13 14 15 15 17 17 18 19 20 21 22 23 24 25 10 15 11 17 12 18 13 19 11 12 13 14 16 16 18 20 19 22 23 21 26 27 25 24 26 27 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 561 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0783C000000000000000000000000000000000000003468C1020000000000915000001A000008000008048090003006800006008000204200000208002020000088000688880D272286311A827823A5C0150BB807C0600C0001000008000040000200001000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LBHQACSAGWCMAB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.03248189 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H10O9 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C(C=C2C(=C1O)OC3=C(O2)C4=C(C(=C3)O)OC5=CC(=CC(=C5O4)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 138 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 370.03248189 27 0 0 0 0 0 0 0 1 -1