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Chemical ID: 3967287
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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