Identification

PhytoHub ID
PHUB000343
Name
Antheraxanthin
Systematic Name
(3S,5R,6S,3’R)-5,6-Epoxy-dihydro-β,β-carotene-3,3’-diol
Synonyms
  • Antheraxanthin A
CAS Number
640-03-9
Average Mass
584.885
Monoisotopic Mass
584.422945663
Chemical Formula
C40H56O3
IUPAC Name
Not Available
InChI Key
OFNSUWBAQRCHAV-OYQUVCAXSA-N
InChI Identifier
InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
SMILES
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Taxonomy as Metabolite

Metabolite Family
Terpenoid metabolites
Metabolite Class
Carotenoid metabolites
Metabolite Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
AntheraxanthinTerpenoidsCarotenoidsNot AvailableShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(81.07,0.13513514);(93.07,0.2962963);(95.086,0.28528529);(105.07,0.3013013);(107.085,0.52452452);(109.101,0.35135135);(119.086,0.91391391);(120.091,0.21321321);(121.101,0.54154154);(122.104,0.08008008);(123.081,0.1961962);(123.117,0.15915916);(125.095,0.07507508);(131.086,0.34934935);(132.09,0.08308308);(133.101,0.75175175);(134.106,0.11811812);(135.081,0.0970971);(135.117,0.54354354);(136.12,0.09109109);(137.096,0.14114114);(143.086,0.30530531);(144.092,0.13813814);(145.101,1.0);(146.106,0.23123123);(147.117,0.4024024);(148.121,0.08608609);(149.096,0.14914915);(149.133,0.10610611);(151.076,0.14614615);(155.106,0.12012012);(156.093,0.09009009);(157.101,0.78978979);(158.106,0.21621622);(159.117,0.87087087);(160.121,0.17417417);(161.098,0.12012012);(161.132,0.25125125);(163.111,0.20620621);(165.091,0.25625626);(169.101,0.38438438);(170.107,0.1021021);(171.117,0.77277277);(172.122,0.19319319);(173.132,0.63463463);(174.135,0.11411411);(175.112,0.0970971);(175.148,0.71471471);(176.151,0.11311311);(177.128,0.12312312);(181.101,0.14014014);(181.122,0.15515516);(182.107,0.07807808);(183.117,0.45245245);(184.122,0.14414414);(185.132,0.54854855);(186.137,0.16316316);(187.147,0.4004004);(188.152,0.08608609);(189.127,0.14514515);(191.142,0.13113113);(193.101,0.08708709);(195.117,0.33633634);(196.122,0.19019019);(197.132,0.62962963);(198.137,0.2032032);(199.148,0.33333333);(201.126,0.09009009);(201.164,0.25825826);(202.167,0.07307307);(203.143,0.21721722);(207.116,0.19319319);(207.137,0.16216216);(208.123,0.11811812);(209.132,0.52352352);(210.137,0.16116116);(211.147,0.44944945);(212.152,0.11411411);(213.163,0.18118118);(215.144,0.08808809);(217.159,0.1021021);(221.132,0.25525526);(221.154,0.46746747);(222.137,0.12912913);(222.157,0.16816817);(223.149,0.38338338);(224.153,0.15115115);(225.163,0.22322322);(227.181,0.08108108);(233.13,0.11311311);(235.147,0.24024024);(236.153,0.11511512);(237.164,0.27127127);(239.179,0.17217217);(241.195,0.07607608);(247.146,0.13013013);(247.167,0.07307307);(248.154,0.07007007);(249.163,0.23223223);(250.169,0.09009009);(251.178,0.16216216);(252.183,0.07707708);(253.192,0.0960961);(255.174,0.07007007);(257.191,0.09009009);(261.163,0.15015015);(262.168,0.07607608);(263.178,0.18618619);(265.195,0.17217217);(273.161,0.07007007);(275.18,0.11911912);(276.184,0.07107107);(277.193,0.11011011);(279.21,0.08208208);(281.189,0.07207207);(283.205,0.12412412);(287.179,0.08908909);(287.2,0.10610611);(289.193,0.1041041);(301.192,0.07007007);(379.258,0.07807808);(492.355,0.0980981);(567.417,0.12412412);(584.414,0.2962963);(585.429,0.57457457);(586.432,0.21721722)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(81.07,0.135);(93.07,0.296);(95.086,0.285);(105.07,0.301);(107.085,0.525);(109.101,0.351);(119.086,0.914);(120.091,0.213);(121.101,0.541);(122.104,0.08);(123.081,0.196);(123.117,0.159);(125.095,0.075);(131.086,0.349);(132.09,0.083);(133.101,0.751);(134.106,0.118);(135.081,0.097);(135.117,0.543);(136.12,0.091);(137.096,0.141);(143.086,0.305);(144.092,0.138);(145.101,1.0);(146.106,0.232);(147.117,0.402);(148.121,0.086);(149.096,0.149);(149.133,0.107);(151.076,0.147);(155.106,0.12);(156.093,0.09);(157.101,0.79);(158.106,0.216);(159.117,0.871);(160.121,0.175);(161.098,0.12);(161.132,0.251);(163.111,0.207);(165.091,0.256);(169.101,0.385);(170.107,0.102);(171.117,0.773);(172.122,0.194);(173.132,0.634);(174.135,0.114);(175.112,0.097);(175.148,0.715);(176.151,0.113);(177.128,0.123);(181.101,0.14);(181.122,0.156);(182.107,0.078);(183.117,0.452);(184.122,0.145);(185.132,0.548);(186.137,0.163);(187.147,0.4);(188.152,0.086);(189.127,0.145);(191.142,0.131);(193.101,0.087);(195.117,0.336);(196.122,0.19);(197.132,0.63);(198.137,0.203);(199.148,0.334);(201.126,0.09);(201.164,0.258);(202.167,0.073);(203.143,0.217);(207.116,0.193);(207.137,0.162);(208.123,0.118);(209.132,0.523);(210.137,0.161);(211.147,0.449);(212.152,0.115);(213.163,0.181);(215.144,0.088);(217.159,0.102);(221.132,0.255);(221.154,0.468);(222.137,0.129);(222.157,0.168);(223.149,0.384);(224.153,0.151);(225.163,0.223);(227.181,0.081);(233.13,0.113);(235.147,0.24);(236.153,0.115);(237.164,0.271);(239.179,0.172);(241.195,0.076);(247.146,0.13);(247.167,0.073);(248.154,0.07);(249.163,0.232);(250.169,0.09);(251.178,0.162);(252.183,0.077);(253.192,0.096);(255.174,0.071);(257.191,0.09);(261.163,0.15);(262.168,0.076);(263.178,0.186);(265.195,0.172);(273.161,0.07);(275.18,0.119);(276.184,0.071);(277.193,0.11);(279.21,0.083);(281.189,0.072);(283.205,0.124);(287.179,0.089);(287.2,0.106);(289.193,0.104);(301.192,0.07);(379.258,0.078);(492.355,0.098);(567.417,0.124);(584.414,0.296);(585.429,0.575);(586.432,0.217)

Food Sources

NameGroup
AlgaeAquatic foods PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
PaprikaHerbs and Spices PublicationsShow
PersimmonHerbs and SpicesShow

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
AntheraxanthinAlgaeAquatic foods PublicationsShow
AntheraxanthinBell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
AntheraxanthinPaprikaHerbs and Spices PublicationsShow
AntheraxanthinPersimmonHerbs and SpicesShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Antheraxanthin Antheraxanthinhumanplasmaunchanged8h-12h200-500 nmol/LNot AvailableC40H56O3584.422945663 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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