PhytoHub: Showing entry for Antheraxanthin

Antheraxanthin

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

Similar Structures

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

External Links

ChEBI: 27867
PubChem: 5281223
MetaboLights: MTBLC27867
PeakForestCompound: 000295
Carotenoids DB: CA00407

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 Phytochemical	Family	Class	Sub-class
Antheraxanthin	Terpenoids	Carotenoids	Not Available	Show Food Phytochemical

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QTOF	Positive	medium	View 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/MS	LC-ESI-QTOF	Positive	medium	View 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

Name	Group
Algae	Aquatic foods	Publications	Show
Bell pepper (Capsicum annuum, mild varieties)	Vegetables, Fruit vegetables	Publications	Show
Paprika	Herbs and Spices	Publications	Show
Persimmon	Herbs and Spices		Show

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Antheraxanthin	Algae	Aquatic foods	Publications	Show
Antheraxanthin	Bell pepper (Capsicum annuum, mild varieties)	Vegetables, Fruit vegetables	Publications	Show
Antheraxanthin	Paprika	Herbs and Spices	Publications	Show
Antheraxanthin	Persimmon	Herbs and Spices		Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Antheraxanthin		Antheraxanthin	human	plasma	unchanged	8h-12h	200-500 nmol/L	Not Available	C₄₀H₅₆O₃	584.422945663		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Antheraxanthin