Natural Product (NP) Details

General Information of the NP (ID: NP3651)
Name
Crocin
Synonyms
Crocin; alpha-Crocin; Gardenia Yellow; Crocin 1; 42553-65-1; Crocine; Crocin I; crocin-1; Crocetin digentiobiose ester; 94238-00-3; Crocetin bis(gentiobiosyl) ester; UNII-877GWI46C2; all-trans-Crocetin di-beta-D-gentiobiosyl ester; crocetin di-gentiobiose ester; CHEMBL446785; CHEBI:79068; 877GWI46C2; 39465-00-4; NCGC00160471-01; bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; Crocin A; CCRIS 678; CCRIS 7705; crocetin digentiobiosyl ester; EINECS 255-881-6; BRN 6473367; Crocin-I; HSDB 8211; Natural red 1; EINECS 254-465-1; Natural yellow 19; Saffron (JP15); crocetin digentiobioside; trans-Crocetin di(beta-D-gentiobiosyl) ester; DSSTox_CID_1457; DSSTox_RID_81403; DSSTox_GSID_46172; SCHEMBL1463936; DTXSID7046172; bis(beta-D-gentiobiosyl) crocetin; HMS3887O07; Crocetin Di(Beta-Gentiobiosyl)Ester; HY-N0697; crocetin di-beta-D-gentiobiose ester; Tox21_111837; BDBM50260195; s9511; AKOS015896765; ZINC245224178; DB11874; Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate; NCGC00160471-02; 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester; beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate); CAS-42553-65-1; C.I. 75100; CS-0009714; N1653; N1661; N1889; trans-crocetin bis(beta-D-gentiobiosyl) ester; C08589; Q424767; All-trans-crocetin di-beta-delta-gentiobiosyl ester; UNII-F32BA2H92Z component SEBIKDIMAPSUBY-RTJKDTQDSA-N; (2E,4E,6E,8E,10E,12E,14E)-Bis((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl) 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; bis(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
    Click to Show/Hide
Species Origin Crocus sativus ...     Click to Show/Hide
Crocus sativus
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Asparagales
Family: Iridaceae
Genus: Crocus
Species: Crocus sativus
Disease Inflammation [ICD-11: N.A.] Investigative [1]
Structure
Click to Download Mol
2D MOL

3D MOL

    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C44H64O24
PubChem CID
5281233
Canonical SMILES
CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O
InChI
1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1
InChIKey
SEBIKDIMAPSUBY-RTJKDTQDSA-N
CAS Number
CAS 42553-65-1
ChEBI ID
CHEBI:79068
Herb ID
HBIN021714
SymMap ID
SMIT00208
TCMSP ID
MOL004556
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Adverse Effect can be Decreased by This NP
          5-fluorouracil      Solid tumour/cancer     Click to Show/Hide the Molecular Data of This Drug
                 Decreasing Adverse Drug Reaction     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model CT26 CVCL_7254 Mouse colon adenocarcinoma Mus musculus
                    In-vivo Model Eight-week old female C57BL/6 mice were used in this study.
                    Experimental
                    Result(s)		 Crocin synergistically enhances the antiproliferative activity of 5-flurouracil through Wnt/PI3K pathway in a mouse model of colitis-associated colorectal cancer.
References
Reference 1 Crocin: A fighter against inflammation and pain. Food Chem Toxicol. 2020 Sep;143:111521.
Reference 2 Crocin synergistically enhances the antiproliferative activity of 5-flurouracil through Wnt/PI3K pathway in a mouse model of colitis-associated colorectal cancer. J Cell Biochem. 2018 Dec;119(12):10250-10261.
 Download Picture         KEGG Link