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Chemical ID: 3965089
Chemical ID:
3965089
Name [?]:
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
SMILES [?]:
CC(=CCc1c(c(c2c(c1O)c(=O)c(c(o2)c3ccc(cc3)O)O)CC=C(C)C)O)C
InChi [?]:
InChI=1/C25H26O6/c1-13(2)5-11-17-20(27)18(12-6-14(3)4)25-19(21(17)28)22(29)23(30)24(31-25)15-7-9-16(26)10-8-15/h5-10,26-28,30H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,28,29,3,26,18,22,19,21,4,25,2,27,17,20,5,7,9,6,10,12,14,15,8,23,30,11,13,24,16/E:(1,2)(3,4)(7,8)(9,10)/rA:31nCCCCCCCCCCOCOCCOCCCCCCOOCCCCCOC/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s10;s9;d12;s12;d14;s8s15;s15;s17;d18;s19;d20;d17s21;s20;s14;s7;s25;d26;s27;s27;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2712 |
Area: | 630.649 |
Solvation: | -5.49504 |
Coulombic: | -82.2265 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 422.47 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 5.25 |
LogP (Chemaxon): | 6.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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