Chemical ID: 3965089

CC(=CCc1c(c(c2c(c1O)c(=O)c(c(o2)c3ccc(cc3)O)O)CC=C(C)C)O)C
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

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Descriptor Annotations

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