Chemical ID: 7514932

COc1ccc(cc1OC)c2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O
Chemical ID:
7514932
Name [?]:
9-(3,4-dimethoxyphenyl)-2,6,7-trihydroxy-xanthen-3-one
SMILES [?]:
COc1ccc(cc1OC)c2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O
InChi [?]:
InChI=1/C21H16O7/c1-26-17-4-3-10(5-20(17)27-2)21-11-6-13(22)15(24)8-18(11)28-19-9-16(25)14(23)7-12(19)21/h3-9,22-24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,7,13,24,16,20,6,12,25,14,23,15,21,3,17,19,8,11,28,26,27,22,2,9,18/rA:28nCOCCCCCCOCCCCCCCCOCCCOCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s20;d21;s21;d23;d11s19s24;s23;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16O7
All Atoms:44
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:4.89615
Area:565.236
Solvation:-9.23475
Coulombic:-76.2375
Bond Count [?]
All:31
Single:21
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.46
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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