Tetrahydrocurcumin
PubChem CID: 124072
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| Compound Synonyms | Tetrahydrocurcumin, 36062-04-1, 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione, Sabiwhite, Tetrahydro Curcumin, Tetrahydrodiferuloylmethane, 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione, 3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, NSC 687845, CHEBI:67263, UNII-00U0645U03, MFCD04152347, NSC-687845, CHEMBL318743, DTXSID30865801, EC 609-201-3, NSC687845, 00U0645U03, Tetrahydrocucumin, Tetrahydrocurcumin (Standard), SCHEMBL284877, Tetrahydro curcumin - Natural, Tetrahydro curcumin, Synthetic, HY-N0893R, TETRAHYDROCURCUMIN [INCI], 3,5-Heptamedopme. 1,7-bis(hydroxy-3methoxyphenyl)heptane, DTXCID40814168, BP_37, BCP18621, HY-N0893, MSK40223, BDBM50059985, s3917, Tetrahydrocurcumin, >=96% (HPLC), AKOS015999950, Tetrahydrocurcumin, analytical standard, CCG-268326, CS-3739, FT28087, TETRAHYDRODIFERULOYLMETHANE [INCI], AC-24240, AS-13957, DA-58439, FT146193, SY047647, NS00003846, EN300-7372534, AP-123/42300632, Q27135730, 1,7-bis(4-hydroxy-3-methoxy-phenyl)heptane-3,5-dione, 1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-dione, TetrahydrocurcuminSabiwhite, Tetrahydro Curcumin, Tetrahydrodiferuloylmethane, 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione, HZIV 81-2, NSC 687845, Aids110028, Aids-110028, Aids 110028 pound>>Tetrahydrodiferuloylmethane pound>>HZIV 81-2, 609-201-3 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Description | Tetrahydrocurcumin (THC), one of the major metabolites of curcumin, exhibits many of the same physiologic and pharmacological activities as curcumin and in some systems may exert greater antioxidant activity than curcumin (PMID: 16061427). Tetrahydrocurcumin is found in turmeric. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 437.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q7ZJM1, O42275, P18054, P09917, Q04206, P40763, Q9H255 |
| Iupac Name | 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione |
| Prediction Hob | 1.0 |
| Class | Diarylheptanoids |
| Target Id | NPT570 |
| Xlogp | 2.8 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Linear diarylheptanoids |
| Molecular Formula | C21H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LBTVHXHERHESKG-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.496 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Logd | 1.878 |
| Synonyms | 1,7-bis(4-hydroxy-3-methoxyphenyl)-3,5-Heptanedione, 3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione |
| Substituent Name | Curcumin, Gingerdione, Methoxyphenol, Methoxybenzene, Phenol ether, Anisole, 1,3-diketone, Phenol, Alkyl aryl ether, Benzenoid, 1,3-dicarbonyl compound, Monocyclic benzene moiety, Ketone, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Tetrahydrocurcumin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.5881742888888892 |
| Inchi | InChI=1S/C21H24O6/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/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3 |
| Smiles | COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Curcuminoids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all