Chemical ID: 5112984

COc1ccc(cc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)OC
Chemical ID:
5112984
Name [?]:
5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-chromen-4-one
SMILES [?]:
COc1ccc(cc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)OC
InChi [?]:
InChI=1/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,5,4,7,16,18,6,17,8,15,3,19,14,12,10,11,21,9,22,13,2,23,20/rA:24nCOCCCCCCOCCCOCCCCCCOOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s17;s15;s11;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O7
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.83491
Area:501.79
Solvation:-7.70985
Coulombic:-77.669
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:330.289
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.72
LogP (Chemaxon):2.91

Name Annotations

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Descriptor Annotations

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