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Natural Product (NP) Details

General Information of the NP (ID: NP9981)
Name
Beta carotene
Synonyms
beta-carotene; 7235-40-7; beta Carotene; beta,beta-Carotene; Betacarotene; Provitamin A; Solatene; Carotaben; Provatene; all-trans-beta-Carotene; Serlabo; Natural Yellow 26; Karotin; KPMK; beta-Karotin; .beta.-Carotene; C.I. Food Orange 5; Food orange 5; Zlut prirodni 26; Lucaratin; BetaVit; beta-Carotin; beta;-Carotene; b,b-Carotene; .beta. Carotene; C.I. 75130; UNII-01YAE03M7J; NSC 62794; C40H56; (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene); all-trans-.beta.-Carotene; MLS001066383; .beta.,.beta.-Carotene; 01YAE03M7J; 2,2'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(1,3,3-trimethylcyclohex-1-ene); CHEBI:17579; NSC62794; Betacarotene (INN); Betacarotene [INN]; 1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene), (all E)-; 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene; NCGC00096081-01; SMR000112037; Solatene (caps); Karotin [Czech]; Cyclohexene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethyl-, (all-E)-; .beta.-Carotene, all-trans-; Betacarotenum [Latin]; Betacaroteno; Betacaroteno [Spanish]; Betacarotenum; MFCD00001556; beta-Carotene, all-trans-; Betacarotenum [INN-Latin]; Betacaroteno [INN-Spanish]; Zlut prirodni 26 [Czech]; 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene); trans-beta-Carotene; CCRIS 3245; HSDB 3264; Diet,beta-carotene supplementation; E160A; SR-01000763803; EINECS 230-636-6; Beta carotene [USAN:USP]; CI 40800; CI 75130; beta-carotenes; beta-Carotine; beta -carotene; NSC-62794; Carotene, .beta.; Solatene (TN); Cyclohexene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-, (all-E)-; I(2)-Carotene; Beta Carotene Natural; beta Carotene (USP); trans-.beta.-Carotene; Carotene, Provitamin A; all trans beta-Carotene; all-E-.beta.-Carotene; DSSTox_CID_253; Spectrum5_000505; .beta., .beta.-Carotene; bmse000832; EC 230-636-6; C40H56 (beta-carotene); (9Z,13Z)-beta-Carotene; CHEMBL1293; DSSTox_RID_75466; BIDD:PXR0110; DSSTox_GSID_20253; BSPBio_003404; DTXSID3020253; BDBM54988; cid_5280489; HMS501A12; .beta.,.beta.-Carotene, neo B; HMS2091M17; Pharmakon1600-01500143; HY-N0411; ZINC6845076; beta-Carotene, >=97.0% (UV); Tox21_111557; CC0205; CCG-36062; LMPR01070001; NSC755910; s1767; AKOS015896682; AC-1869; DB06755; NSC-755910; SDCCGMLS-0066579.P001; IDI1_000330; NCGC00096081-02; AS-13354; H982; ST097774; CAS-7235-40-7; SBI-0051295.P003; C.I.-40800; N1547; SW220035-1; 3046-EP2298772A1; 3046-EP2308839A1; C02094; D03101; J10299; AB00051925_06; AB00051925_07; beta-Carotene, Vetec(TM) reagent grade, >=93%; 117179-EP2292227A2; 117179-EP2298776A1; Q306135; Q-200706; SR-01000763803-2; SR-01000763803-3; SR-01000763803-4; beta-Carotene, Type I, synthetic, >=93% (UV), powder; UNII-N53I4V2IA6 component OENHQHLEOONYIE-JLTXGRSLSA-N; 89648336-F9B2-44A0-9BF8-62E73369CB9B; Beta Carotene, United States Pharmacopeia (USP) Reference Standard; beta-Carotene, Type II, synthetic, >=95% (HPLC), crystalline; beta-Carotene, Pharmaceutical Secondary Standard; Certified Reference Material; Cyclohexane,1,1'-(3,7,12,16-tetramethyl-1,18-octadecanediyl)bis[2,2,6-trimethyl-; (1E,3E,5E,7E,9E,11E,13E,15E,17E)-1,18-bis(2,6,6-trimethylcyclohex-1-enyl)-3,7, 12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene; (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5, 7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6, 6-trimethylcyclohexene]; 1,18-Bis(2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonene
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Species Origin Daucus carota ...     Click to Show/Hide
Daucus carota
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Apiales
Family: Apiaceae
Genus: Daucus
Species: Daucus carota
Disease Nutritional deficiency [ICD-11: 5B55-5B71] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C40H56
PubChem CID
5280489
Canonical SMILES
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
InChI
1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKey
OENHQHLEOONYIE-JLTXGRSLSA-N
CAS Number
CAS 7235-40-7
ChEBI ID
CHEBI:17579
Herb ID
HBIN019762
SymMap ID
SMIT01875
TTD Drug ID
D0MY8N
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          1,25-dihydroxyvitamin D3      Congenital alopecia     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     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 EC9706 CVCL_E307 Esophageal squamous cell carcinoma Homo sapiens
                    Experimental
                    Result(s)
These two agents in combination synergistically inhibited cell growth and induced apoptosis.
References
Reference 1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Reference 2 Inhibition of proliferation and induction of apoptosis by the combination of Beta-carotene and 1,25-dihydroxyvitamin D3 in human esophageal cancer EC9706 cells. Asian Pac J Cancer Prev. 2012;13(12):6327-32.
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Cite NPCDR
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Correspondence

X. N. Sun, Y. T. Zhang, Y. Zhou, X. C. Lian, L. L. Yan, T. Pan, T. Jin, H. Xie, Z. M. Liang, W. Q. Qiu, J. X. Wang, Z. R. Li, F. Zhu*, X. B. Sui*. NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research. 50(D1): 1324-1333 (2020). PMID: 34664659

Prof. Feng ZHU  (zhufeng@zju.edu.cn)

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China


Prof. Xinbing SUI  (hzzju@hznu.edu.cn)

School of Pharmacy and Department of Medical Oncology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou, China