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Chemical ID: 4943461
Chemical ID:
4943461
Name [?]:
5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,8-dimethoxy-chromen-4-one
SMILES [?]:
COc1cc(ccc1O)c2c(c(=O)c3c(cc(c(c3o2)OC)O)O)OC
InChi [?]:
InChI=1/C18H16O8/c1-23-12-6-8(4-5-9(12)19)15-18(25-3)14(22)13-10(20)7-11(21)16(24-2)17(13)26-15/h4-7,19-21H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,26,6,7,4,16,5,8,15,17,3,14,12,10,18,19,11,9,24,23,13,2,21,25,20/rA:26nCOCCCCCCOCCCOCCCCCCOOCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;d10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s18;s21;s17;s15;s11;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O8 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.6999 |
Area: | 523.882 |
Solvation: | -9.39715 |
Coulombic: | -84.489 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.315 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.64 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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