Chemical ID: 4435668

Cc1cc(ccc1OC)c2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O
Chemical ID:
4435668
Name [?]:
2,6,7-trihydroxy-9-(4-methoxy-3-methyl-phenyl)-xanthen-3-one
SMILES [?]:
Cc1cc(ccc1OC)c2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O
InChi [?]:
InChI=1/C21H16O6/c1-10-5-11(3-4-18(10)26-2)21-12-6-14(22)16(24)8-19(12)27-20-9-17(25)15(23)7-13(20)21/h3-9,22-24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,5,6,3,12,23,15,19,2,4,11,24,13,22,14,20,7,16,18,10,27,25,26,21,8,17/rA:27nCCCCCCCOCCCCCCCCOCCCOCCCOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;s10;s11;d12;s13;d14;d11s15;s16;s17;d18;s19;d20;s20;d22;d10s18s23;s22;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16O6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.9243
Area:547.112
Solvation:-6.75349
Coulombic:-70.3729
Bond Count [?]
All:30
Single:20
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:364.348
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.04
LogP (Chemaxon):5.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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