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Curcumin

PubChem CID: 969516

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Compound Synonyms curcumin, 458-37-7, Diferuloylmethane, Natural yellow 3, Kacha haldi, Indian saffron, Curcuma, Gelbwurz, Haldar, Curcumin I, Souchet, Haidr, Halad, Halud, Yellow Ginger, Terra Merita, (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione, Safran d'Inde, Yo-Kin, C.I. Natural Yellow 3, Yellow puccoon, Golden seal, Diferaloylmethane, Curcumine, Hydrastis, Tumeric yellow, CI Natural Yellow 3, Kurkumin [Czech], Kurkumin, Curcumin (synthetic), C.I. 75300, Zlut prirodni 3, Jianghuangsu, Zlut prirodni 3 [Czech], Cucurmin, NanoCurc, E 100, 94875-80-6, Tumeric oleoresin, NSC32982, (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, MFCD00008365, NSC 32982, 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, CCRIS 3257, CHEBI:3962, Curcurmin, Lipocurc, Kurkum, HSDB 4334, 1,5-Di(vanillyliden)acetylaceton, CI 75300, NCI-C61325, 1,5-Divanillyliden-2,4-pentandion, EINECS 207-280-5, UNII-IT942ZTH98, NSC-32982, Curcumin e100, NSC 687842, trans,trans-Curcumin, BRN 2306965, IT942ZTH98, 1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione, E 100 (Dye), MLS000069631, DTXSID8031077, 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-, 1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione, CHEMBL140, NSC-687842, (E,E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, SMR000058237, 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-, DTXCID901421, INS NO. 100(I), INS-100(I), 4-08-00-03697 (Beilstein Handbook Reference), (E/Z)-Curcumin, NSC687842, 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, curouma, NCGC00017159-05, kachs haldi, 2,7-Nonadiene-4,6-dione, 1,9-bis(4-hydroxy-3-methoxyphenyl)-, safra d'inde, CURCUMIN (MART.), CURCUMIN [MART.], CURCUMIN (USP-RS), CURCUMIN [USP-RS], (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione, (1E,6E)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione, Tumeric, Ukon, 1,7-BIS-(4-HYDROXY-3-METHOXYPHENYL)-HEPTA-1,6-DIENE-3,5-DIONE, CAS-458-37-7, Phytosome, Curcumin, Ukon (dye), FEMA No. 3085, FEMA No. 3086, CCRIS 5804, C Yellow 15, SR-01000000149, Curcumin,(S), Curcumin (Standard), starbld0017234, Victory 19 Virus Out, CURCUMIN [HSDB], CURCUMIN [MI], Opera_ID_1627, CURCUMIN [WHO-DD], SCHEMBL8440, SCHEMBL8441, Curcumin, analytical standard, MLS001148449, BIDD:ER0479, CU-01000001305-2, cid_969516, GTPL7000, SCHEMBL13521974, SCHEMBL23884885, SCHEMBL23884886, SCHEMBL23884892, SCHEMBL23884893, BDBM29532, cid_5281767, HY-N0005R, cMAP_000052, HMS2233K04, HMS3649K06, BCP04695, Tox21_110803, Tox21_111505, Tox21_201116, BBL027711, BDBM50067040, BDBM50140172, CCG-36020, CCG-36107, STL371943, AKOS001305497, BCP9000557, DB11672, FC09321, NCGC00017159-04, NCGC00017159-06, NCGC00017159-07, NCGC00017159-09, NCGC00017159-10, NCGC00017159-11, NCGC00017159-12, NCGC00023332-03, NCGC00023332-04, NCGC00023332-05, NCGC00258668-01, AC-24238, AS-72202, BP-25396, CURCUMIN (CONSTITUENT OF TURMERIC), BCP0726000035, DB-002681, WLN: 1OR BQ E1U1V1V1U1R DQ CO1, C2302, CS-0149275, NS00014804, EN300-21494, F21478, K00009, Curcumin, Curcuma longa L. - CAS 458-37-7, Curcumin, primary pharmaceutical reference standard, Q312266, 1,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, SR-01000000149-2, SR-01000000149-5, BRD-K07572174-001-02-2, BRD-K07572174-001-19-6, BRD-K07572174-001-22-0, BRD-K07572174-001-38-6, BRD-K07572174-001-39-4, Z104500108, Curcumin, >=94% (curcuminoid content), >=80% (Curcumin), 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione, Curcumin, matrix substance for MALDI-MS, >=99.5% (HPLC), Curcumin, United States Pharmacopeia (USP) Reference Standard, 1,7-BIS(4-HYDROXYMETHOXYPHENYL)-1,6-HEPTADIENE-3,5-DIONE, 1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione, 1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione), (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione, (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione #, (1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione, (1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione, 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (E,E)-, 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one, 5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one, Curcumin, 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one, 207-280-5
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 93.1
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC(CCC1CCCCC1)CC(C)CCC1CCCCC1
Np Classifier Class Linear diarylheptanoids
Deep Smiles COccc/C=C/C=O)CC=O)/C=C/cccccc6)OC)))O))))))))))))ccc6O
Heavy Atom Count 27.0
Classyfire Class Diarylheptanoids
Description Isolated from Curcuma zedoaria (zedoary) and other Curcuma subspecies flavouring ingredient. Natural colouring matter used extensively in Indian curries etc. Nutriceutical with anticancer and antiinflammatory props. Curcumin is found in many foods, some of which are asian pear, leek, chayote, and coconut.
Scaffold Graph Node Level OC(CCC1CCCCC1)CC(O)CCC1CCCCC1
Classyfire Subclass Linear diarylheptanoids
Isotope Atom Count 0.0
Molecular Complexity 507.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q03164, P02545, P10828, P38398, Q99714, B2RXH2, P42858, P55210, P16473, Q9NUW8, P10636, P25779, P14618, P51450, Q16665, P00352, Q962Y6, Q9F4F7, P16050, P02791, P18054, P28482, O97447, P15917, P15428, P04637, P29466, P68871, P06746, P10253, Q6W5P4, P08684, P04062, O75164, Q99816, P24822, Q8WTS1, O60240, P10696, Q96KQ7, Q9UIF8, O15296, Q96QE3, P05186, P09923, P87108, P11473, P19793, O95149, P03372, P10275, Q9HC16, Q96RI1, Q9NR96, O89049, P39748, Q9UNA4, Q12809, Q03181, Q9UBT6, P37231, P84022, P08659, P04150, Q932Y6, O94782, P25094, P11021, Q8IUX4, O75496, P19838, P35869, Q16236, O94925, P65502, Q9R1A7, Q13526, P10145, P51449, P11308, O75874, Q13148, P37840, n.a., Q9NR56, P63092, P05067, O14684, Q969S8, P56817, P49841, Q09472, Q92793, P21397, P27338, Q9Y6Y9, P35354, O62698, O42275, P05480, Q9NZ45, P00533, P0A031, P13726, P27732, P18266, P81908, P22303, P06276, P37059, P14061, P15144, Q13153, O60341, Q8CM62, Q7BGE6, Q16762, P61604, P0A6F5, P09917, Q04760, P04191, P16615, Q93084, Q86VQ6, P28074, P0DTD1, Q95PM0, Q13547, Q92769, Q9BY41, Q96P20, P14679, P04792, P05412
Iupac Name (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Prediction Hob 0.0
Class Diarylheptanoids
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT483, NPT46, NPT157, NPT149, NPT48, NPT1197, NPT1038, NPT1226, NPT210, NPT50, NPT51, NPT52, NPT211, NPT94, NPT792, NPT1119, NPT282, NPT151, NPT539, NPT277, NPT2930, NPT59, NPT60, NPT1416, NPT109, NPT4252, NPT78, NPT956, NPT740, NPT591, NPT1079, NPT1834, NPT261, NPT582, NPT285, NPT677, NPT152, NPT1588, NPT2553, NPT3120, NPT570, NPT1566, NPT1187, NPT684, NPT685, NPT687, NPT920, NPT584, NPT741
Xlogp 3.2
Superclass Phenylpropanoids and polyketides
Subclass Linear diarylheptanoids
Gsk 4 400 Rule True
Molecular Formula C21H20O6
Scaffold Graph Node Bond Level O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1
Prediction Swissadme 0.0
Inchi Key VFLDPWHFBUODDF-FCXRPNKRSA-N
Silicos It Class Moderately soluble
Fcsp3 0.1428571428571428
Logs -3.921
Rotatable Bond Count 8.0
State Solid
Logd 2.82
Synonyms 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, 9CI, 1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione, 1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione, C.I. 75300, C.I. Natural Yellow 3, CI natural yellow 3, Cucurmin, Curcuma, Curcuma yellow, Diferaloylmethane, Diferuloylmethane, Diferulylmethane, e 100, E100, Gelbwurz, Golden seal, Haidr, Halad, Haldar, Halud, Hydrastis, Kacha haldi, Merita earth, Natural yellow 3, Orange root, Safran d'inde, Souchet, Terra merita, Tumeric yellow, Turmeric, Turmeric (>98% curcurmin), Turmeric oleoresin (79%-85% curcumin), Turmeric yellow, Yellow ginger, Yellow puccoon, Yellow root, Yo-kin, C.I. natural yellow 3, Yellow, turmeric, Curcumin I, yo-Kin, 14a-Methyl-9,19-cyclo-5a,9b-cholestane-3b,6a-diol, colouring matter (curcumin), curcumin, curcumin i, diferuloylmethane
Substituent Name Curcumin, Hydroxycinnamic acid or derivatives, Cinnamic acid or derivatives, Methoxyphenol, Methoxybenzene, Styrene, Phenol ether, Anisole, 1,3-diketone, Phenol, Alkyl aryl ether, Benzenoid, 1,3-dicarbonyl compound, Monocyclic benzene moiety, Alpha,beta-unsaturated ketone, Enone, Acryloyl-group, Ketone, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound
Esol Class Soluble
Functional Groups c/C=C/C(C)=O, cO, cOC
Compound Name Curcumin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 368.126
Formal Charge 0.0
Monoisotopic Mass 368.126
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 368.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -3.9408758888888893
Inchi InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
Smiles COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
Nring 2.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Taxonomy Direct Parent Curcuminoids
Np Classifier Superclass Diarylheptanoids

  • 1. Outgoing r'ship FOUND_IN to/from Adiantum Capillus-Veneris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20516541
  • 4. Outgoing r'ship FOUND_IN to/from Cheilocostus Speciosus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 5. Outgoing r'ship FOUND_IN to/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Corylus Avellana (Plant) Rel Props:Source_db:npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Cucumis Melo (Plant) Rel Props:Reference:ISBN:9788172362133
  • 8. Outgoing r'ship FOUND_IN to/from Curcuma Amada (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15312045
  • 9. Outgoing r'ship FOUND_IN to/from Curcuma Aromatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Fraxinus Quadrangulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Ginkgo Biloba (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16904103
  • 17. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Goniothalamus Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20187580
  • 22. Outgoing r'ship FOUND_IN to/from Iris Tectorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Jacobaea Maritima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20187580
  • 27. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20040947
  • 28. Outgoing r'ship FOUND_IN to/from Strychnos Angustiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Tacca Chantrieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:ISBN:9788172362140
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