124052 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 38 39 40 41 42 43 44 8 8 8 8 6 6 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 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 5 6 6 6 7 7 8 8 9 10 10 11 11 12 12 12 13 14 14 15 15 16 17 18 19 19 20 20 20 21 21 21 22 22 23 23 8 9 12 13 18 43 24 44 6 8 11 25 7 26 27 9 14 28 29 10 13 15 18 19 17 20 21 16 16 30 17 31 32 33 22 23 34 35 36 37 38 39 40 24 41 24 42 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 5 6 8 11 25 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 38 39 40 41 42 43 44 5.65 3.9061 9.1783 10.9219 7.4501 7.442 6.532 6.548 5.666 4.8 8.318 3 4.8 6.532 3.9061 5.666 3 9.1821 8.3219 2 2.5033 10.0501 9.1898 10.0539 8.1837 7.6466 8.0537 6.9453 6.147 7.069 3.9132 5.666 2.4643 7.7862 1.9976 1.38 2.0024 1.9652 2.1954 3.0415 10.5858 9.1922 9.714 10.9243 0.4084 -2.6678 -0.5914 2.4019 0.4153 -0.6263 -1.1332 0.9361 -0.6332 -1.1332 0.9119 -2.154 -2.1332 -2.1332 -0.5985 -2.6332 -1.1123 0.4086 1.9119 -2.1578 -3.0219 0.9053 2.4086 1.9053 -0.014 -1.2116 -0.5249 1.4121 1.409 -2.4432 0.0215 -3.2532 -0.8003 2.224 -1.5378 -2.1602 -2.7778 -2.714 -3.56 -3.3298 0.5932 3.0286 -0.9034 3.0219 6 8 8 8 8 8 8 8 8 8 8 8 8 5 7 7 9 10 11 11 13 14 18 19 22 23 25 9 14 10 13 18 19 16 16 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 488 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0783800000000000000000000000000000000000000346081000000000000914000001A00000800000D44A098023206800006008002204200000208002020000888000608880C272286311A827820A5C01508B807C0E0FC0EA0000208000800004000041000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f][1]benzopyran-3-yl]benzene-1,3-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(3<I>R</I>)-8,8-dimethyl-3,4-dihydro-2<I>H</I>-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]resorcinol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LBQIJVLKGVZRIW-ZDUSSCGKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.13615911 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H20O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.13615911 24 1 1 0 0 0 0 0 1 -1