NP-MRD: Showing NP-Card for crocetin (NP0230320)

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Record Information

Version

2.0

Created at

2022-09-06 10:43:55 UTC

Updated at

2022-09-06 10:43:56 UTC

NP-MRD ID

NP0230320

Secondary Accession Numbers

None

Natural Product Identification

Common Name

crocetin

Description

(All-E)-Crocetin, also known as trans-crocetin, belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. crocetin is found in Crocus sativus, Crocus vernus, Gardenia jasminoides, Prunus yedoensis and Verbascum lychnitis. crocetin was first documented in 2002 (PMID: 12065218). Thus, (all-e)-crocetin is considered to be an isoprenoid lipid molecule (all-E)-Crocetin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 15605174) (PMID: 16272698) (PMID: 19358927) (PMID: 20041429).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 47  0  0  0  0  0  0  0  0999 V2000
    3.1863    1.6480   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0098    0.2066   -0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1506   -0.6334   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3627   -0.1605   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5031   -1.0273   -1.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7224   -0.5757   -1.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9723    0.8654   -0.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8335   -1.4556   -1.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0159   -1.0385   -1.4113 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6221   -2.8076   -1.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8049   -0.2861   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5747    0.4058   -0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071   -0.1754   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413    0.5436    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0226   -0.0822    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9915   -1.5193   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2247    0.6905    0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4384    0.1919    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6172    1.0232    0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8156    0.4694    0.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9314   -0.9742    0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9916    1.2851    1.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1303    0.7669    1.2130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8508    2.6440    1.4306 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189    1.7580    0.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4261    2.1937   -1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940    2.1188    0.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -1.6842   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5683    0.8858   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3342   -2.0780   -1.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0403    1.0112   -0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4674    1.2142    0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6332    1.4282   -1.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6335   -3.4235   -0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7236   -1.3700   -0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676    1.4661    0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6685   -1.2298   -0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8026    1.6123    0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -2.0665    0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4968   -1.6421   -1.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9644   -2.0033   -0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345    1.7512    0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5682   -0.8634    0.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5263    2.0815    1.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4553   -1.2362   -0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3373   -1.5276    1.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9570   -1.3462    0.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9089    2.9453    2.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8 10  1  0
  8  9  2  0
  2 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 24  1  0
 22 23  2  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  4 29  1  0
  5 30  1  0
  7 31  1  0
  7 32  1  0
  7 33  1  0
 10 34  1  0
 11 35  1  0
 12 36  1  0
 13 37  1  0
 14 38  1  0
 16 39  1  0
 16 40  1  0
 16 41  1  0
 17 42  1  0
 18 43  1  0
 19 44  1  0
 21 45  1  0
 21 46  1  0
 21 47  1  0
 24 48  1  0
M  END


  Mrv1572001071617042D          

 24 23  0  0  0  0            999 V2000
   11.6916   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4060   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9772   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1204   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4060  -10.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2628   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1204   -8.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8348   -9.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8339   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483  -10.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1195   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4051   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6907   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763   -8.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5475   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -9.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   -9.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186   -8.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042  -10.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6898   -9.1264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0230320

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+

> <INCHI_KEY>
PANKHBYNKQNAHN-MQQNZMFNSA-N

> <FORMULA>
C20H24O4

> <MOLECULAR_WEIGHT>
328.408

> <EXACT_MASS>
328.167459253

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
38.0504327014913

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid

> <ALOGPS_LOGP>
4.54

> <JCHEM_LOGP>
4.400203230666667

> <ALOGPS_LOGS>
-4.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.24723946968452

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.645179478356558

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
103.7968

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.58e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
crocetin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-JAN-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JAN-16         0                                  
HETATM    1  C   UNK     0      21.824 -17.036   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      23.158 -17.806   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.491 -17.806   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      24.491 -17.036   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      23.158 -19.346   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      19.157 -17.036   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      24.491 -15.496   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      25.825 -17.806   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      17.824 -17.806   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.490 -17.036   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.824 -19.346   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.156 -17.806   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.823 -17.036   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.489 -17.806   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.156 -17.036   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.822 -17.806   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.156 -15.496   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.489 -17.036   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.155 -17.806   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.821 -17.036   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.488 -17.806   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.821 -15.496   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.488 -19.346   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       3.154 -17.036   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4    5                                                  
CONECT    3    1    6                                                       
CONECT    4    2    7    8                                                  
CONECT    5    2                                                            
CONECT    6    3    9                                                       
CONECT    7    4                                                            
CONECT    8    4                                                            
CONECT    9    6   10   11                                                  
CONECT   10    9   12                                                       
CONECT   11    9                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15   18                                                       
CONECT   17   15                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20   23   24                                                  
CONECT   22   20                                                            
CONECT   23   21                                                            
CONECT   24   21                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   46    0
END

View in JSmol

Synonyms

Value	Source
8,8'-Diapo-8,8'-carotenedioic acid	ChEBI
8,8'-Diapo-psi,psi-carotenedioic acid	ChEBI
8,8'-Diapocarotenedioic acid	ChEBI
trans-Crocetin	ChEBI
8,8'-Diapocarotene-8,8'-dioic acid	Kegg
8,8'-Diapo-8,8'-carotenedioate	Generator
8,8'-Diapo-psi,psi-carotenedioate	Generator
8,8'-Diapocarotenedioate	Generator
8,8'-Diapocarotene-8,8'-dioate	Generator
Crocetin sodium salt	MeSH

Chemical Formula

C₂₀H₂₄O₄

Average Mass

328.4080 Da

Monoisotopic Mass

328.16746 Da

IUPAC Name

(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid

Traditional Name

crocetin

CAS Registry Number

Not Available

SMILES

C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O

InChI Identifier

InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+

InChI Key

PANKHBYNKQNAHN-MQQNZMFNSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Crocus sativus	LOTUS Database	35616633
Crocus vernus	LOTUS Database	35616633
Gardenia jasminoides	LOTUS Database	35616633
Prunus yedoensis	LOTUS Database	35616633
Verbascum lychnitis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Acyclic diterpenoids

Alternative Parents

Substituents

Acyclic diterpenoid
Long-chain fatty acid
Branched fatty acid
Methyl-branched fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
Unsaturated fatty acid
Carboxylic acid derivative
Carboxylic acid
Organic oxygen compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dicarboxylic acid (CHEBI:3918 )
diterpenoid (CHEBI:3918 )
carotenoic acid (CHEBI:3918 )
Acyclic diterpenoids (C08588 )
Acyclic diterpenoids (LMPR0104010020 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.54	ALOGPS
logP	4.4	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	4.65	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.6 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	103.8 m³·mol⁻¹	ChemAxon
Polarizability	38.05 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB013727

KNApSAcK ID

C00003768

Chemspider ID

Not Available

KEGG Compound ID

C08588

BioCyc ID

CPD-8662

BiGG ID

Not Available

Wikipedia Link

Crocetin

METLIN ID

Not Available

PubChem Compound

5281232

PDB ID

Not Available

ChEBI ID

3918

Good Scents ID

Not Available

References

General References

Martin G, Goh E, Neff AW: Evaluation of the developmental toxicity of crocetin on Xenopus. Food Chem Toxicol. 2002 Jul;40(7):959-64. doi: 10.1016/s0278-6915(02)00040-6. [PubMed:12065218 ]
Moraga AR, Nohales PF, Perez JA, Gomez-Gomez L: Glucosylation of the saffron apocarotenoid crocetin by a glucosyltransferase isolated from Crocus sativus stigmas. Planta. 2004 Oct;219(6):955-66. doi: 10.1007/s00425-004-1299-1. Epub 2004 Jun 19. [PubMed:15605174 ]
Lee IA, Lee JH, Baek NI, Kim DH: Antihyperlipidemic effect of crocin isolated from the fructus of Gardenia jasminoides and its metabolite Crocetin. Biol Pharm Bull. 2005 Nov;28(11):2106-10. doi: 10.1248/bpb.28.2106. [PubMed:16272698 ]
Mizuma H, Tanaka M, Nozaki S, Mizuno K, Tahara T, Ataka S, Sugino T, Shirai T, Kajimoto Y, Kuratsune H, Kajimoto O, Watanabe Y: Daily oral administration of crocetin attenuates physical fatigue in human subjects. Nutr Res. 2009 Mar;29(3):145-50. doi: 10.1016/j.nutres.2009.02.003. [PubMed:19358927 ]
Zhou CH, Xiang M, He SY, Qian ZY: Crocetin inhibits cell cycle G1/S transition through suppressing cyclin D1 and elevating p27kip1 in vascular smooth muscle cells. Phytother Res. 2010 Jul;24(7):975-81. doi: 10.1002/ptr.3039. [PubMed:20041429 ]
LOTUS database [Link]

Showing NP-Card for crocetin (NP0230320)

MOL for NP0230320 (crocetin)

3D MOL for NP0230320 (crocetin)

3D SDF for NP0230320 (crocetin)

3D-SDF for NP0230320 (crocetin)

PDB for NP0230320 (crocetin)

3D PDB for NP0230320 (crocetin)

SMILES for NP0230320 (crocetin)

INCHI for NP0230320 (crocetin)

Structure for NP0230320 (crocetin)

3D Structure for NP0230320 (crocetin)