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Lumichrome

PubChem CID: 5326566

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Compound Synonyms lumichrome, 1086-80-2, 7,8-Dimethylalloxazine, 7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione, Riboflavin lumichrome, 7,8-dimethylisoalloxazine, Alloxazine, 7,8-dimethyl-, 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione, CHEBI:17781, UNII-99U1UDJ2HM, Lumichrome (I), 99U1UDJ2HM, Benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-, MFCD00005021, dimethylisoalloxazine, Benzo(g)pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-, LUMICHROME [MI], EINECS 214-120-8, NSC 96911, NSC-96911, CHEBI:37323, DTXSID70148600, 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione, RIBOFLAVIN IMPURITY B [EP IMPURITY], 7,8-Dimethylbenzo(g)pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione, 7,8-DIMETHYLBENZO(G)PTERIDINE-2,4-(1H,3H)-DIONE, LUM, RIBOFLAVIN IMPURITY B (EP IMPURITY), 7,8-dimethyl-1H-benzo(g)pteridine-2,4-dione, 7,8-dimethylbenzo(g)pteridine-2,4(3H,10H)-dione, 7,8-Dimethylbenzo[g]pteridine-2,4(1H,3H)-dione, 7,8-Dimethylalloxazine, Riboflavin lumichrome, 7,8-Dimethylisoalloxazine, NSC 96911, Riboflavin Impurity B, 2cc7, Alloxazine,8-dimethyl-, Oprea1_454036, SCHEMBL194906, CHEMBL1234101, DTXCID0071091, HMS3604B12, ALBB-023287, NSC96911, BDBM50410877, CCG-36441, AKOS003232003, AKOS003245099, DB04345, AS-56222, FD131182, SY051636, 7,8-Dimethylbenzo[g]pteridine-2,4-diol #, DB-040839, HY-115385, CS-0081855, D1066, NS00023504, C01727, D78457, 7,8-dimethyl-1H-benzo[g]pteridine-2,4-quinone, Benzo[g]pteridine-2,3H)-dione, 7,8-dimethyl-, AG-690/11093051, SR-01000198213, SR-01000198213-1, Q27095157, 3CC7321C-61C5-4305-A0F0-EE1334A0C8A1, 7,8-Dimethylbenzo[g]pteridine-2,4(1H,3H)-dione (Lumichrome), benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-, Lumichrome
Topological Polar Surface Area 84.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 386.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
Prediction Hob 1.0
Xlogp 1.1
Molecular Formula C12H10N4O2
Prediction Swissadme 0.0
Inchi Key ZJTJUVIJVLLGSP-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -3.076
Rotatable Bond Count 0.0
Logd 1.77
Compound Name Lumichrome
Prediction Hob Swissadme 0.0
Exact Mass 242.08
Formal Charge 0.0
Monoisotopic Mass 242.08
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 242.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.133331155555556
Inchi InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
Smiles CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Abutilon Grandiflorum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Aniba Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Arabidopsis Lyrata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Betula Davurica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Cajanus Cajan (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Euphorbia Aellenii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Ipomoea Muelleri (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Liabum Bourgeaui (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Pluchea Sericea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Poterium Sanguisorba (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Pristimera Indica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Quercus Variabilis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Sinocrassula Indica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Thapsia Transtagana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Thryptomene Kochii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Toxicopueraria Peduncularis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Uncaria Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Valeriana Cardamines (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Viburnum Rhytidophyllum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 22. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients
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