Chemical ID: 3967287

CC(=CCc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)CC=C(C)C)O)C
Chemical ID:
3967287
Name [?]:
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chroman-4-one
SMILES [?]:
CC(=CCc1c(c(c2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)CC=C(C)C)O)C
InChi [?]:
InChI=1/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,27,28,3,25,18,22,19,21,4,24,14,2,26,17,20,5,7,12,15,9,6,10,8,23,13,29,11,16/E:(1,2)(3,4)(7,8)(9,10)/rA:30cCCCCCCCCCCOCOCCOCCCCCCOCCCCCOC/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s10;s9;d12;s12;s14;s8s15;s15;s17;d18;s19;d20;d17s21;s20;s7;s24;d25;s26;s26;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.2424
Area:614.56
Solvation:-5.12161
Coulombic:-64.918
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:408.487
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.48
LogP (Chemaxon):5.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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