News
  • Aug 2018: Initiation.
  • March 2019: Added search by name function.
  • July 2019: Updated Gateway user interface.
1. Input structure format

If you upload a file with one of these extensions, this value will be set automatically.

2. Auxiliary options

If the input structure is a 2D structure, you can check this box to get a 3D project of the structure:

If hydrogen atoms are missing from the structure, you can check this box to add hydrogen atoms:

3. Upload or paste input structure

Upload a structure file (one compound per submit):

File

OR Paste a structure (if a file has been uploaded we process the uploaded file)

You can download an example input file.
4. Submit

Or view an example results page.

Search by name
Search by InChI
Hint: You can use '?' to specify unknown chirality.
InChI Most common names Image
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
4' 5 7-trihydroxyflavanone
Naringenin
4',5,7-Trihydroxyflavanone
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one

Database Records for 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one

Standard InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1

Primary compound name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one expand_more
GISSMO Entries

GISSMO enables the efficient calculation and refinement of spin system matrices (chemical shift and coupling constants) against experimental 1D-1H NMR spectra of small molecules

bmse001121
CAMP Entries

CAMP is a webserver for computational mapping of MS peaks of a given small molecule to all possible fragments of the compound

BML00645 BML00656 BML00667 BML00676 BML00684 BML00692 BML81780 BML81781 BML81782 BML81783 FIO00205 FIO00206 FIO00207 FIO00208 FIO00209 FIO00210 FIO00211 FIO00212 FIO00213 FIO00214 ML005001 OUF00380 OUF00381 PB000122 PB000123 PB000124 PB000125 PB002401 PB002402 PB002403 PB002404 PR020017 PR020070 PR040041 PR040042 PR040043 PR040044
BMOD Entries

Biomolecular Modeling Database (BMOD) is designed to archive and provide force field parameters of small molecules for different molecular modeling software packages.

BMOD0000000987 BMOD0000002098 BMOD0000006788 BMOD0000009620 BMOD0000026104 BMOD0000026253 BMOD0000026478 BMOD0000026500 BMOD0000026590 BMOD0000026623 BMOD0000026746 BMOD0000026752 BMOD0000026761 BMOD0000026781 BMOD0000038809 BMOD0000038870 BMOD0000039026 BMOD0000039040 BMOD0000039274 BMOD0000039286 BMOD0000039294 BMOD0000039309 BMOD0000045356 BMOD0000046798 BMOD0000047027 BMOD0000047202 BMOD0000047351 BMOD0000047576 BMOD0000047598 BMOD0000047688 BMOD0000047721 BMOD0000047844 BMOD0000047850 BMOD0000047859 BMOD0000047879 BMOD0000048649 BMOD0000049104 BMOD0000049884 BMOD0000049924 BMOD0000049942 BMOD0000049996 BMOD0000051707 BMOD0000051830 BMOD0000052052 BMOD0000052087 BMOD0000052256 BMOD0000053079 BMOD0000053423 BMOD0000053576 BMOD0000053731 BMOD0000054185 BMOD0000055556 BMOD0000060696 BMOD0000118019 BMOD0000298078 BMOD0000355264 BMOD0000393696