CMAUP Plant Ingredients

24 Known Ingredients in Total

Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.

5 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC76972
Formula: C59H96O26

Common Name	Kalopanaxsaponin B
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H]([C@@]3(C)CO)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56-,57+,58+,59-/m0/s1
Standard InCHIKey	RYHDIBJJJRNDSX-MCGLQMIESA-N
Ingredient External Links	PubChem CID: 11491905 ChEMBL ID: CHEMBL1910840
Plant-Ingredient Association Reference	Database: UNPD [UNPD91026] Database: NPASS [NPC76972]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Hedera helix	Hedera	Araliaceae
Akebia quinata	Akebia	Lardizabalaceae
Patrinia scabiosifolia	Patrinia	Caprifoliaceae
Kalopanax septemlobus	Kalopanax	Araliaceae
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC6857
Formula: C60H96O26

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(CC4=C4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3C=C4)(C)CC[C@@H](C5(C)C)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C60H96O26/c1-24-34(63)38(67)43(72)50(78-24)84-47-29(22-62)81-49(46(75)42(47)71)77-23-30-37(66)40(69)45(74)52(82-30)86-54(76)60-18-16-55(3,4)20-27(60)26-10-11-32-57(7)14-13-33(56(5,6)31(57)12-15-59(32,9)58(26,8)17-19-60)83-53-48(41(70)36(65)28(21-61)80-53)85-51-44(73)39(68)35(64)25(2)79-51/h10-11,24-25,28-53,61-75H,12-23H2,1-9H3/t24-,25-,28+,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,57-,58+,59+,60-/m0/s1
Standard InCHIKey	NZVVBUNHUDYFOK-GWBULXNQSA-N
Ingredient External Links	PubChem CID: 102271937
Plant-Ingredient Association Reference	Database: UNPD [UNPD129654]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC67857
Formula: C59H96O25

Common Name	Hederasaponin B
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H](C3(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1
Standard InCHIKey	NVSLBOBPSCMMSO-BVLVEXITSA-N
Ingredient External Links	PubChem CID: 21626480 ChEMBL ID: CHEMBL506880
Plant-Ingredient Association Reference	Database: UNPD [UNPD14043] Database: NPASS [NPC67857]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae
Clematis chinensis	Clematis	Ranunculaceae

Ingredient ID: NPC66851
Formula: C64H104O30

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H]([C@@]3(C)CO)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C64H104O30/c1-25-36(69)41(74)46(79)54(86-25)91-49-31(20-65)88-52(48(81)44(49)77)85-23-32-40(73)43(76)51(92-53-45(78)38(71)29(67)21-83-53)57(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-56-50(39(72)30(68)22-84-56)93-55-47(80)42(75)37(70)26(2)87-55/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1
Standard InCHIKey	NBENDOXTUHHPIE-DTSAIOIHSA-N
Ingredient External Links	PubChem CID: 102271939
Plant-Ingredient Association Reference	Database: UNPD [UNPD114147]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC53545
Formula: C21H20O11

Common Name	Isoorientin
IUPAC Name	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
Standard InCHIKey	ODBRNZZJSYPIDI-VJXVFPJBSA-N
Ingredient External Links	PubChem CID: 114776 ZINC ID: ZINC000004349262 ChEMBL ID: CHEMBL239559
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC53545]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Allagopappus viscosissimus	Allagopappus	Asteraceae
Adenia volkensii	Adenia	Passifloraceae
Barbacenia flava	Barbacenia	Velloziaceae
Astragalus spinosus	Astragalus	Fabaceae
Swertia decussata	Swertia	Gentianaceae
Peltogyne pubescens	Peltogyne	Fabaceae
Ranunculus peltatus	Ranunculus	Ranunculaceae
Baccharis angustifolia	Baccharis	Asteraceae
Hydrangea serrata	Hydrangea	Hydrangeaceae
Lunularia cruciata	Lunularia	Lunulariaceae
Lophatherum gracile	Lophatherum	Poaceae
Iris pallasii	Iris	Iridaceae
Persea kusanoi	Persea	Lauraceae
Swertia pseudochinensis	Swertia	Gentianaceae
Cedronella canariensis	Cedronella	Lamiaceae
Vitex negundo	Vitex	Lamiaceae
Humata pectinata	Humata	Davalliaceae
Pyrrosia lingua	Pyrrosia	Polypodiaceae
Pyrrosia tricuspis	Pyrrosia	Polypodiaceae
Prunella vulgaris	Prunella	Lamiaceae
Santalum album	Santalum	Santalaceae
Physalis edulis	Physalis	Solanaceae
Ficus microcarpa	Ficus	Moraceae
Papaver tatricum	Papaver	Papaveraceae
Gleditsia caspica	Gleditsia	Fabaceae
Drypetes molunduana	Drypetes	Putranjivaceae
Gentiana straminea	Gentiana	Gentianaceae
Patrinia scabiosifolia	Patrinia	Caprifoliaceae
Flacourtia indica	Flacourtia	Salicaceae
Croton megistocarpus	Croton	Euphorbiaceae
Gentiana macrophylla	Gentiana	Gentianaceae
Lysimachia christinae	Lysimachia	Primulaceae
Rosulabryum capillare	Rosulabryum	Bryaceae
Pyrrosia petiolosa	Pyrrosia	Polypodiaceae
Citrus rugulosa	Citrus	Rutaceae
Bistorta vivipara	Bistorta	Polygonaceae
Aglaia australiensis	Aglaia	Meliaceae
Spatholobus suberectus	Spatholobus	Fabaceae
Persicaria orientalis	Persicaria	Polygonaceae
Euphorbia hirta	Euphorbia	Euphorbiaceae
Macadamia ternifolia	Macadamia	Proteaceae
Tinospora crispa	Tinospora	Menispermaceae
Swertia swertopsis	Swertia	Gentianaceae
Premna tomentosa	Premna	Lamiaceae
Sagittaria sagittifolia	Sagittaria	Alismataceae
Gentiana dahurica	Gentiana	Gentianaceae
Cunonia macrophylla	Cunonia	Cunoniaceae
Tsuga chinensis	Tsuga	Pinaceae
Taxus brevifolia	Taxus	Taxaceae
Virgilia divaricata	Virgilia	Fabaceae
Entada rheedei	Entada	Fabaceae
Aucuba chinensis	Aucuba	Garryaceae
Utricularia australis	Utricularia	Lentibulariaceae
Amsinckia tessellata	Amsinckia	Boraginaceae
Citrus maxima	Citrus	Rutaceae
Carica dodecaphylla	Carica	Caricaceae
Citrus tangerina	Citrus	Rutaceae
Crocus minimus	Crocus	Iridaceae
Curculigo pilosa	Curculigo	Hypoxidaceae
Sideritis euboea	Sideritis	Lamiaceae
Osteospermum muricatum	Osteospermum	Asteraceae
Centaurea huber-morathii	Centaurea	Asteraceae
Sisyrinchium californicum	Sisyrinchium	Iridaceae
Saussurea amara	Saussurea	Asteraceae
Lysiana subfalcata	Lysiana	Loranthaceae
Haplophyllum ramosissimum	Haplophyllum	Rutaceae
Peperomia vulcanica	Peperomia	Piperaceae
Sorbus tianschanica	Sorbus	Rosaceae
Platycarya strobilacea	Platycarya	Juglandaceae
Helichrysum mixtum	Helichrysum	Asteraceae
Cynometra lujae	Cynometra	Fabaceae
Aspalathus linearis	Aspalathus	Fabaceae
Eupatorium areolare	Eupatorium	Asteraceae
Stephania elegans	Stephania	Menispermaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Swertia japonica	Swertia	Gentianaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Pygeum topengii	Pygeum	Rosaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Abrus precatorius	Abrus	Fabaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae
Brickellia vernicosa	Brickellia	Asteraceae
Macaranga peltata	Macaranga	Euphorbiaceae
Hymenoxys scaposa	Hymenoxys	Asteraceae
Desmodium styracifolium	Desmodium	Fabaceae
Diplacus longiflorus	Diplacus	Phrymaceae
Nelumbo nucifera	Nelumbo	Nelumbonaceae
Gentiana crassicaulis	Gentiana	Gentianaceae
Achillea pseudopectinata	Achillea	Asteraceae
Geranium sibiricum	Geranium	Geraniaceae
Hypericum perforatum	Hypericum	Hypericaceae
Isatis tinctoria	Isatis	Brassicaceae
Baphicacanthus cusia	Baphicacanthus	Acanthaceae
Lagerstroemia indica	Lagerstroemia	Lythraceae
Syzygium nervosum	Syzygium	Myrtaceae
Lepidosperma ustulatum	Lepidosperma	Cyperaceae
Centaurea hermannii	Centaurea	Asteraceae
Cecropia pachystachya	Cecropia	Urticaceae
Salvia miltiorrhiza	Salvia	Lamiaceae
Dunalia solanacea	Dunalia	Solanaceae
Kali turgidum	Kali	Chenopodiaceae
Berberis floribunda	Berberis	Berberidaceae
Jamesoniella colorata	Jamesoniella	Jungermanniaceae
Crataegus monogyna	Crataegus	Rosaceae
Fumaria micrantha	Fumaria	Papaveraceae
Senecio isatideus	Senecio	Asteraceae
Pterodon emarginatus	Pterodon	Fabaceae
Berlinia tomentosa	Berlinia	Fabaceae
Trigonella foenum-graecum	Trigonella	Fabaceae
Cymodocea nodosa	Cymodocea	Cymodoceaceae
Bonamia spectabilis	Bonamia	Convolvulaceae
Atuna racemosa	Atuna	Chrysobalanaceae
Persicaria tinctoria	Persicaria	Polygonaceae
Euphorbia clarkeana	Euphorbia	Euphorbiaceae
Patrinia villosa	Patrinia	Caprifoliaceae
Astragalus pycnanthus	Astragalus	Fabaceae
Pulsatilla campanella	Pulsatilla	Ranunculaceae
Parablechnum minus	Parablechnum	Blechnaceae

Ingredient ID: NPC47923
Formula: C27H30O15

Common Name	n.a.
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,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]chromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)c2c(O)cc3c(c2O)c(=O)cc(o3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C27H30O15/c28-7-15-19(32)23(36)25(38)27(42-15)39-8-16-20(33)22(35)24(37)26(41-16)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(29)4-2-9/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
Standard InCHIKey	QBRPMUNMCISYMM-KETMJRJWSA-N
Ingredient External Links	PubChem CID: 10603568 ZINC ID: ZINC000049823114
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC47923]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Pygeum topengii	Pygeum	Rosaceae
Centaurea hermannii	Centaurea	Asteraceae
Crataegus monogyna	Crataegus	Rosaceae

Ingredient ID: NPC3853
Formula: C59H96O26

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(C[C@H]3O)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H](C3(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C59H96O26/c1-23-34(63)38(67)42(71)49(78-23)83-46-28(20-60)80-48(45(74)41(46)70)77-22-29-37(66)40(69)44(73)51(81-29)85-53(75)59-17-16-54(3,4)18-26(59)25-10-11-31-56(7)14-13-33(55(5,6)30(56)12-15-57(31,8)58(25,9)19-32(59)62)82-52-47(36(65)27(61)21-76-52)84-50-43(72)39(68)35(64)24(2)79-50/h10,23-24,26-52,60-74H,11-22H2,1-9H3/t23-,24-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59+/m0/s1
Standard InCHIKey	PVNXMFDNBHBTQH-WZJLZQBYSA-N
Ingredient External Links	PubChem CID: 21627942
Plant-Ingredient Association Reference	Database: UNPD [UNPD37244]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC289774
Formula: C21H20O10

Common Name	Isovitexin
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
Standard InCHI	InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1
Standard InCHIKey	MYXNWGACZJSMBT-VJXVFPJBSA-N
Ingredient External Links	PubChem CID: 162350 ZINC ID: ZINC000004095704 ChEMBL ID: CHEMBL465360
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC289774]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia apiacea	Artemisia	Asteraceae
Allagopappus viscosissimus	Allagopappus	Asteraceae
Adenia volkensii	Adenia	Passifloraceae
Barbacenia flava	Barbacenia	Velloziaceae
Astragalus spinosus	Astragalus	Fabaceae
Elaeagnus commutata	Elaeagnus	Elaeagnaceae
Ageratina adenophora	Ageratina	Asteraceae
Swertia decussata	Swertia	Gentianaceae
Adenopeltis colliguaya	Adenopeltis	Euphorbiaceae
Peltogyne pubescens	Peltogyne	Fabaceae
Ipomoea purpurea	Ipomoea	Convolvulaceae
Ranunculus peltatus	Ranunculus	Ranunculaceae
Baccharis angustifolia	Baccharis	Asteraceae
Hydrangea serrata	Hydrangea	Hydrangeaceae
Quercus mongolica	Quercus	Fagaceae
Cneorum pulverulentum	Cneorum	Rutaceae
Lunularia cruciata	Lunularia	Lunulariaceae
Perityle vaseyi	Perityle	Asteraceae
Lophatherum gracile	Lophatherum	Poaceae
Pedicularis condensata	Pedicularis	Orobanchaceae
Palafoxia rosea	Palafoxia	Asteraceae
Chrozophora obliqua	Chrozophora	Euphorbiaceae
Iris pallasii	Iris	Iridaceae
Taraxacum platycarpum	Taraxacum	Asteraceae
Senecio flavus	Senecio	Asteraceae
Salvia coulteri	Salvia	Lamiaceae
Swertia pseudochinensis	Swertia	Gentianaceae
Cedronella canariensis	Cedronella	Lamiaceae
Porella swartziana	Porella	Porellaceae
Vitex negundo	Vitex	Lamiaceae
Meconopsis napaulensis	Meconopsis	Papaveraceae
Rheum webbianum	Rheum	Polygonaceae
Mascarenhasia arborescens	Mascarenhasia	Apocynaceae
Eucalyptus flocktoniae	Eucalyptus	Myrtaceae
Kummerowia striata	Kummerowia	Fabaceae
Thymbra spicata	Thymbra	Lamiaceae
Humata pectinata	Humata	Davalliaceae
Phoebe formosana	Phoebe	Lauraceae
Taraxacum borealisinense	Taraxacum	Asteraceae
Sida cordifolia	Sida	Malvaceae
Pyrrosia lingua	Pyrrosia	Polypodiaceae
Millettia conraui	Millettia	Fabaceae
Pyrrosia tricuspis	Pyrrosia	Polypodiaceae
Centaurea seridis	Centaurea	Asteraceae
Flindersia brayleyana	Flindersia	Rutaceae
Satureja cuneifolia	Satureja	Lamiaceae
Consolida ajacis	Consolida	Ranunculaceae
Ipomoea nil	Ipomoea	Convolvulaceae
Santalum album	Santalum	Santalaceae
Physalis edulis	Physalis	Solanaceae
Vigna umbeuata	Vigna	Fabaceae
Ficus microcarpa	Ficus	Moraceae
Papaver tatricum	Papaver	Papaveraceae
Gleditsia caspica	Gleditsia	Fabaceae
Campsis grandiflora	Campsis	Bignoniaceae
Patrinia scabiosifolia	Patrinia	Caprifoliaceae
Woodsia manchuriensis	Woodsia	Woodsiaceae
Capsicum tetragonum	Capsicum	Solanaceae
Flacourtia indica	Flacourtia	Salicaceae
Heracleum sphondylium	Heracleum	Apiaceae
Taraxacum coreanum	Taraxacum	Asteraceae
Microcos paniculata	Microcos	Malvaceae
Bituminaria bituminosa	Bituminaria	Fabaceae
Lysimachia christinae	Lysimachia	Primulaceae
Rosulabryum capillare	Rosulabryum	Bryaceae
Pyrrosia petiolosa	Pyrrosia	Polypodiaceae
Citrus rugulosa	Citrus	Rutaceae
Lycoris traubii	Lycoris	Amaryllidaceae
Bistorta vivipara	Bistorta	Polygonaceae
Spirodela polyrhiza	Spirodela	Araceae
Aglaia australiensis	Aglaia	Meliaceae
Dalbergia stipulacea	Dalbergia	Fabaceae
Euphorbia hirta	Euphorbia	Euphorbiaceae
Artemisia annua	Artemisia	Asteraceae
Macadamia ternifolia	Macadamia	Proteaceae
Taraxacum officinale	Taraxacum	Asteraceae
Tinospora crispa	Tinospora	Menispermaceae
Taraxacum mongolicum	Taraxacum	Asteraceae
Swertia swertopsis	Swertia	Gentianaceae
Premna tomentosa	Premna	Lamiaceae
Sagittaria sagittifolia	Sagittaria	Alismataceae
Lygodium flexuosum	Lygodium	Lygodiaceae
Cunonia macrophylla	Cunonia	Cunoniaceae
Tsuga chinensis	Tsuga	Pinaceae
Taxus brevifolia	Taxus	Taxaceae
Virgilia divaricata	Virgilia	Fabaceae
Entada rheedei	Entada	Fabaceae
Aucuba chinensis	Aucuba	Garryaceae
Utricularia australis	Utricularia	Lentibulariaceae
Amsinckia tessellata	Amsinckia	Boraginaceae
Carica dodecaphylla	Carica	Caricaceae
Citrus tangerina	Citrus	Rutaceae
Crocus minimus	Crocus	Iridaceae
Curculigo pilosa	Curculigo	Hypoxidaceae
Sideritis euboea	Sideritis	Lamiaceae
Osteospermum muricatum	Osteospermum	Asteraceae
Centaurea huber-morathii	Centaurea	Asteraceae
Sisyrinchium californicum	Sisyrinchium	Iridaceae
Saussurea amara	Saussurea	Asteraceae
Lysiana subfalcata	Lysiana	Loranthaceae
Haplophyllum ramosissimum	Haplophyllum	Rutaceae
Peperomia vulcanica	Peperomia	Piperaceae
Sorbus tianschanica	Sorbus	Rosaceae
Platycarya strobilacea	Platycarya	Juglandaceae
Helichrysum mixtum	Helichrysum	Asteraceae
Cynometra lujae	Cynometra	Fabaceae
Aspalathus linearis	Aspalathus	Fabaceae
Eupatorium areolare	Eupatorium	Asteraceae
Stephania elegans	Stephania	Menispermaceae
Eritrichium sericeum	Eritrichium	Boraginaceae
Swertia japonica	Swertia	Gentianaceae
Chrysosplenium americanum	Chrysosplenium	Saxifragaceae
Phlogacanthus tubiflorus	Phlogacanthus	Acanthaceae
Anemone tomentosa	Anemone	Ranunculaceae
Pygeum topengii	Pygeum	Rosaceae
Sabia japonica	Sabia	Sabiaceae
Olea europaea	Olea	Oleaceae
Strychnos staudtii	Strychnos	Loganiaceae
Dictyoloma incanescens	Dictyoloma	Rutaceae
Saccharum spontaneum	Saccharum	Poaceae
Crotalaria anagyroides	Crotalaria	Fabaceae
Dasymaschalon sootepense	Dasymaschalon	Annonaceae
Croton poilanei	Croton	Euphorbiaceae
Tsuga mertensiana	Tsuga	Pinaceae
Panax ginseng	Panax	Araliaceae
Guatteria melosma	Guatteria	Annonaceae
Brickellia vernicosa	Brickellia	Asteraceae
Macaranga peltata	Macaranga	Euphorbiaceae
Securinega melanthesoides	Securinega	Phyllanthaceae
Euonymus sachalinensis	Euonymus	Celastraceae
Felicia erigeroides	Felicia	Asteraceae
Lupinus paniculatus	Lupinus	Fabaceae
Boehmeria nivea	Boehmeria	Urticaceae
Vigna angularis	Vigna	Fabaceae
Hymenoxys scaposa	Hymenoxys	Asteraceae
Desmodium styracifolium	Desmodium	Fabaceae
mammea siamensis	Mammea	Calophyllaceae
Diplacus longiflorus	Diplacus	Phrymaceae
Jungermannia obovata	Jungermannia	Jungermanniaceae
Nelumbo nucifera	Nelumbo	Nelumbonaceae
Achillea pseudopectinata	Achillea	Asteraceae
Vigna umbellata	Vigna	Fabaceae
Gentiana lutea	Gentiana	Gentianaceae
Isatis tinctoria	Isatis	Brassicaceae
Syzygium nervosum	Syzygium	Myrtaceae
Lepidosperma ustulatum	Lepidosperma	Cyperaceae
Turraeanthus mannii	Turraeanthus	Meliaceae
Centaurea hermannii	Centaurea	Asteraceae
Cecropia pachystachya	Cecropia	Urticaceae
Coleus garckeanus	Coleus	Lamiaceae
Citrus natsudaidai	Citrus	Rutaceae
Solanum sisymbriifolium	Solanum	Solanaceae
Gerbera piloselloides	Gerbera	Asteraceae
Salvia miltiorrhiza	Salvia	Lamiaceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Dunalia solanacea	Dunalia	Solanaceae
Kali turgidum	Kali	Chenopodiaceae
Berberis floribunda	Berberis	Berberidaceae
Citrus aurantium	Citrus	Rutaceae
Jamesoniella colorata	Jamesoniella	Jungermanniaceae
Crataegus monogyna	Crataegus	Rosaceae
Salacia chinensis	Salacia	Celastraceae
Fumaria micrantha	Fumaria	Papaveraceae
Pterodon emarginatus	Pterodon	Fabaceae
Commelina communis	Commelina	Commelinaceae
Berlinia tomentosa	Berlinia	Fabaceae
Vaccaria hispanica	Vaccaria	Caryophyllaceae
Cymodocea nodosa	Cymodocea	Cymodoceaceae
Bonamia spectabilis	Bonamia	Convolvulaceae
Atuna racemosa	Atuna	Chrysobalanaceae
Persicaria tinctoria	Persicaria	Polygonaceae
Euphorbia clarkeana	Euphorbia	Euphorbiaceae
Patrinia villosa	Patrinia	Caprifoliaceae
Astragalus pycnanthus	Astragalus	Fabaceae
Pulsatilla campanella	Pulsatilla	Ranunculaceae
Parablechnum minus	Parablechnum	Blechnaceae
Merremia umbellata	Merremia	Convolvulaceae

Ingredient ID: NPC272801
Formula: C61H98O26

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H](C3(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C61H98O26/c1-25-36(64)40(68)44(72)51(80-25)85-48-32(24-77-27(3)62)83-50(47(75)43(48)71)79-23-31-39(67)42(70)46(74)53(82-31)87-55(76)61-19-17-56(4,5)21-29(61)28-11-12-34-58(8)15-14-35(57(6,7)33(58)13-16-60(34,10)59(28,9)18-20-61)84-54-49(38(66)30(63)22-78-54)86-52-45(73)41(69)37(65)26(2)81-52/h11,25-26,29-54,63-75H,12-24H2,1-10H3/t25-,26-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,58-,59+,60+,61-/m0/s1
Standard InCHIKey	RHHSFOQSESHVRS-WYRPNKAHSA-N
Ingredient External Links	PubChem CID: 21626482
Plant-Ingredient Association Reference	Database: UNPD [UNPD143465]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC272435
Formula: C27H30O16

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)c2c(O)cc3c(c2O)c(=O)cc(o3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C27H30O16/c28-6-15-19(33)23(37)25(39)27(43-15)40-7-16-20(34)22(36)24(38)26(42-16)18-12(32)5-14-17(21(18)35)11(31)4-13(41-14)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
Standard InCHIKey	WJLJMQTUQORVBM-IJTBWITGSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD83202]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Pygeum topengii	Pygeum	Rosaceae
Centaurea hermannii	Centaurea	Asteraceae
Crataegus monogyna	Crataegus	Rosaceae

Ingredient ID: NPC262783
Formula: C53H86O22

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(C[C@H]3O)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H](C3(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C53H86O22/c1-22-32(57)35(60)39(64)45(70-22)74-42-26(19-54)71-43(41(66)37(42)62)69-21-27-34(59)36(61)40(65)46(72-27)75-47(67)53-16-15-48(2,3)17-24(53)23-9-10-29-50(6)13-12-31(73-44-38(63)33(58)25(55)20-68-44)49(4,5)28(50)11-14-51(29,7)52(23,8)18-30(53)56/h9,22,24-46,54-66H,10-21H2,1-8H3/t22-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,50-,51+,52+,53+/m0/s1
Standard InCHIKey	ZGMSGGSISLPGEC-SEQZVPSZSA-N
Ingredient External Links	PubChem CID: 102271943
Plant-Ingredient Association Reference	Database: UNPD [UNPD193174]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC241629
Formula: C54H88O23

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aR,6bR,8aR,9R,10S,12aR,14aS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5([C@@H](C4=CC(CC3)(C)C)CC[C@H]3[C@@]5(C)CC[C@@H]4[C@]3(C)CC[C@@H]([C@@]4(C)CO)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C54H88O23/c1-23-32(58)35(61)39(65)45(71-23)76-43-27(20-56)73-44(42(68)38(43)64)70-21-28-34(60)37(63)41(67)47(74-28)77-48(69)54-16-14-49(2,3)18-25(54)24-8-9-30-50(4)12-11-31(75-46-40(66)36(62)33(59)26(19-55)72-46)51(5,22-57)29(50)10-13-53(30,7)52(24,6)15-17-54/h18,23-24,26-47,55-68H,8-17,19-22H2,1-7H3/t23-,24+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1
Standard InCHIKey	DGTOFUGYBUVCMP-RDRONDBKSA-N
Ingredient External Links	PubChem CID: 102271944
Plant-Ingredient Association Reference	Database: UNPD [UNPD73127]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC238671
Formula: C65H106O31

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)OC(=O)[C@]23CC[C@@]4(C(=CC[C@H]5[C@@]4(C)CC[C@@H]4[C@]5(C)CC[C@@H]([C@@]4(C)CO)O[C@@H]4OC[C@@H]([C@@H]([C@H]4O[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)O)O)O)[C@@H]3CC(CC2)(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C65H106O31/c1-25-36(70)41(75)46(80)54(87-25)93-50-31(21-67)90-53(49(83)45(50)79)86-23-32-40(74)44(78)52(95-56-48(82)43(77)39(73)30(20-66)89-56)58(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-57-51(38(72)29(69)22-85-57)94-55-47(81)42(76)37(71)26(2)88-55/h9,25-26,28-58,66-83H,10-24H2,1-8H3/t25-,26-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58-,61-,62-,63+,64+,65-/m0/s1
Standard InCHIKey	UCOKWZRYDSCDAB-ZAAWYZORSA-N
Ingredient External Links	PubChem CID: 102271940
Plant-Ingredient Association Reference	Database: UNPD [UNPD121009]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC218488
Formula: C27H30O16

Common Name	n.a.
IUPAC Name	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,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]chromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)c2c(O)cc3c(c2O)c(=O)cc(o3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C27H30O16/c28-6-15-19(33)23(37)25(39)27(43-15)40-7-16-20(34)22(36)24(38)26(42-16)18-12(32)5-14-17(21(18)35)11(31)4-13(41-14)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
Standard InCHIKey	WJLJMQTUQORVBM-KETMJRJWSA-N
Ingredient External Links	PubChem CID: 180730
Plant-Ingredient Association Reference	Database: UNPD [UNPD13611] Database: NPASS [NPC218488]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Pygeum topengii	Pygeum	Rosaceae
Centaurea hermannii	Centaurea	Asteraceae
Crataegus monogyna	Crataegus	Rosaceae

Ingredient ID: NPC203804
Formula: C54H88O22

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H](C5(C)C)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C(=C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C54H88O22/c1-22(2)24-11-16-54(49(68)76-48-42(66)38(62)35(59)28(73-48)21-69-45-43(67)39(63)44(27(20-56)72-45)75-46-40(64)36(60)33(57)23(3)70-46)18-17-52(7)25(32(24)54)9-10-30-51(6)14-13-31(50(4,5)29(51)12-15-53(30,52)8)74-47-41(65)37(61)34(58)26(19-55)71-47/h23-48,55-67H,1,9-21H2,2-8H3/t23-,24-,25+,26+,27+,28+,29-,30+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,51-,52+,53+,54-/m0/s1
Standard InCHIKey	AMSVTLCTZVZTHY-HLWUMSQVSA-N
Ingredient External Links	PubChem CID: 102271945
Plant-Ingredient Association Reference	Database: UNPD [UNPD71049]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC190927
Formula: C61H98O27

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(C[C@H]3O)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H](C3(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C61H98O27/c1-24-36(65)40(69)44(73)51(81-24)86-48-31(23-78-26(3)62)84-50(47(76)43(48)72)80-22-30-39(68)42(71)46(75)53(83-30)88-55(77)61-18-17-56(4,5)19-28(61)27-11-12-33-58(8)15-14-35(57(6,7)32(58)13-16-59(33,9)60(27,10)20-34(61)64)85-54-49(38(67)29(63)21-79-54)87-52-45(74)41(70)37(66)25(2)82-52/h11,24-25,28-54,63-76H,12-23H2,1-10H3/t24-,25-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,58-,59+,60+,61+/m0/s1
Standard InCHIKey	ZCCWQTVZGNRCJQ-MSDRGPICSA-N
Ingredient External Links	PubChem CID: 102271942
Plant-Ingredient Association Reference	Database: UNPD [UNPD15131]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC189142
Formula: C21H20O11

Common Name	Galuteolin
IUPAC Name	2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
Standard InCHIKey	PEFNSGRTCBGNAN-QNDFHXLGSA-N
Ingredient External Links	PubChem CID: 5280637 ZINC ID: ZINC000004096258 ChEMBL ID: CHEMBL233929
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC189142]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Myrsine capitellata	Myrsine	Primulaceae
Othonna sedifolia	Othonna	Asteraceae
Ipomoea muricata	Ipomoea	Convolvulaceae
Glechoma longituba	Glechoma	Lamiaceae
Fragaria x ananassa	Fragaria	Rosaceae
Aristolochia maxima	Aristolochia	Aristolochiaceae
Chrysanthemum sinense	Chrysanthemum	Asteraceae
Ixeris chinensis	Ixeris	Asteraceae
Artemisia hanseniana	Artemisia	Asteraceae
Flacourtia jangomas	Flacourtia	Salicaceae
Carpobrotus edulis	Carpobrotus	Aizoaceae
Adenia volkensii	Adenia	Passifloraceae
Asplenium normale	Asplenium	Aspleniaceae
Veronicastrum sibiricum	Veronicastrum	Plantaginaceae
Sideritis trojana	Sideritis	Lamiaceae
Polygonum cuspidatum	Polygonum	Polygonaceae
Centrolobium tomentosum	Centrolobium	Fabaceae
Pterocarpus officinalis	Pterocarpus	Fabaceae
Kopsia grandifolia	Kopsia	Apocynaceae
Vernonia lanuginosa	Vernonia	Asteraceae
Betula mandshurica	Betula	Betulaceae
Onobrychis arenaria	Onobrychis	Fabaceae
Calycanthus floridus	Calycanthus	Calycanthaceae
Markhamia stipulata	Markhamia	Bignoniaceae
Psilostrophe cooperi	Psilostrophe	Asteraceae
Eria mollis	Eria	Orchidaceae
Agrimonia eupatoria	Agrimonia	Rosaceae
Achillea collina	Achillea	Asteraceae
Ledebouria socialis	Ledebouria	Hyacinthaceae
Dysoxylum cumingianum	Dysoxylum	Meliaceae
Trifolium alexandrinum	Trifolium	Fabaceae
Adenia globosa	Adenia	Passifloraceae
Baccharis angustifolia	Baccharis	Asteraceae
Trachelospermum jasminoides	Trachelospermum	Apocynaceae
Hypericum reflexum	Hypericum	Hypericaceae
Psychotria stachyoides	Psychotria	Rubiaceae
Lycopus europaeus	Lycopus	Lamiaceae
Vinca minor	Vinca	Apocynaceae
Dodonaea viscosa	Dodonaea	Sapindaceae
Dipterocarpus dyeri	Dipterocarpus	Dipterocarpaceae
Aglaia grandis	Aglaia	Meliaceae
Mikania obtusata	Mikania	Asteraceae
Osteospermum fruticosum	Osteospermum	Asteraceae
Catunaregam tomentosa	Catunaregam	Rubiaceae
Liriodendron tulipifera	Liriodendron	Magnoliaceae
Artemisia rupestris	Artemisia	Asteraceae
Fritillaria cirrhosa	Fritillaria	Liliaceae
Biebersteinia orphanidis	Biebersteinia	Biebersteiniaceae
Sideritis tragoriganum	Sideritis	Lamiaceae
Ipomoea cairica	Ipomoea	Convolvulaceae
Jasminum officinale	Jasminum	Oleaceae
Teucrium yemense	Teucrium	Lamiaceae
Neobalanocarpus heimii	Neobalanocarpus	Dipterocarpaceae
Iris pallasii	Iris	Iridaceae
Taraxacum platycarpum	Taraxacum	Asteraceae
Aconitum tasiromontanum	Aconitum	Ranunculaceae
Ceanothus velutinus	Ceanothus	Rhamnaceae
Bergenia purpurascens	Bergenia	Saxifragaceae
Mentha canadensis	Mentha	Lamiaceae
Garcinia scortechinii	Garcinia	Clusiaceae
Apollonias barbujana	Apollonias	Lauraceae
Dendriopoterium menendezii	Dendriopoterium	Rosaceae
Solanum jamaicense	Solanum	Solanaceae
Chlorophytum borivilianum	Chlorophytum	Asparagaceae
Adansonia grandidieri	Adansonia	Malvaceae
Physalis alkekengi	Physalis	Solanaceae
Aphyllocladus denticulatus	Aphyllocladus	Asteraceae
Cedronella canariensis	Cedronella	Lamiaceae
Bassia muricata	Bassia	Chenopodiaceae
Vitex negundo	Vitex	Lamiaceae
Lippia carviodora	Lippia	Verbenaceae
Trachelospermum asiaticum	Trachelospermum	Apocynaceae
Ceratophyllum submersum	Ceratophyllum	Ceratophyllaceae
Senecio nemorensis	Senecio	Asteraceae
Brucea javanica	Brucea	Simaroubaceae
Senecio subdentatus	Senecio	Asteraceae
Polygala myrtifolia	Polygala	Polygalaceae
Myrica nana	Myrica	Myricaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Aconitum seravschanicum	Aconitum	Ranunculaceae
Boswellia carterii	Boswellia	Burseraceae
Sideritis soluta	Sideritis	Lamiaceae
Habropetalum dawei	Habropetalum	Dioncophyllaceae
Dracocephalum kotschyi	Dracocephalum	Lamiaceae
Ligularia platyglossa	Ligularia	Asteraceae
Humata pectinata	Humata	Davalliaceae
Rhodiola krylovii	Rhodiola	Crassulaceae
Taraxacum borealisinense	Taraxacum	Asteraceae
Scutellaria barbata	Scutellaria	Lamiaceae
Rapanea myricoides	Rapanea	Primulaceae
Crataegus sinaica	Crataegus	Rosaceae
Capsicum annuum	Capsicum	Solanaceae
Malus asiatica	Malus	Rosaceae
Isodon lophanthoides	Isodon	Lamiaceae
Lonicera macranthoides	Lonicera	Caprifoliaceae
Artemisia vachanica	Artemisia	Asteraceae
Lasiocephalus ovatus	Lasiocephalus	Asteraceae
Montrouziera sphaeroidea	Montrouziera	Clusiaceae
Cotoneaster orbicularis	Cotoneaster	Rosaceae
Bischofia trifoliata	Bischofia	Phyllanthaceae
Prunella vulgaris	Prunella	Lamiaceae
Pimpinella saxifraga	Pimpinella	Apiaceae
Caragana tibetica	Caragana	Fabaceae
Macrotyloma axillare	Macrotyloma	Fabaceae
Inula britannica	Inula	Asteraceae
Trigonostemon reidioides	Trigonostemon	Euphorbiaceae
Euphorbia ferganensis	Euphorbia	Euphorbiaceae
Arachniodes dimorphophylla	Arachniodes	Dryopteridaceae
Fragaria vesca	Fragaria	Rosaceae
Agrimonia pilosa	Agrimonia	Rosaceae
Oreosolen wattii	Oreosolen	Scrophulariaceae
Mosla chinensis	Mosla	Lamiaceae
Physalis edulis	Physalis	Solanaceae
Merendera sobolifera	Merendera	Colchicaceae
Ligustrum lucidum	Ligustrum	Oleaceae
Saussurea involucrata	Saussurea	Asteraceae
Discaria crenata	Discaria	Rhamnaceae
Pinus mugo	Pinus	Pinaceae
Catananche caerulea	Catananche	Asteraceae
Gleditsia caspica	Gleditsia	Fabaceae
Cirsium japonicum	Cirsium	Asteraceae
Dracocephalum tanguticum	Dracocephalum	Lamiaceae
Eclipta prostrata	Eclipta	Asteraceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Cephalaria ambrosioides	Cephalaria	Caprifoliaceae
Lasianthus fordii	Lasianthus	Rubiaceae
Hydrocotyle ranunculoides	Hydrocotyle	Araliaceae
Angelica keiskei	Angelica	Apiaceae
Plantago major	Plantago	Plantaginaceae
Lonicera hypoglauca	Lonicera	Caprifoliaceae
Boronia ternata	Boronia	Rutaceae
Elsholtzia ciliata	Elsholtzia	Lamiaceae
Buxus hyrcana	Buxus	Buxaceae
Lycopus lucidus	Lycopus	Lamiaceae
Chrysanthemum indicum	Chrysanthemum	Asteraceae
Morinda morindoides	Morinda	Rubiaceae
Tropaeolum speciosum	Tropaeolum	Tropaeolaceae
Justicia secunda	Justicia	Acanthaceae
Lens culinaris	Lens	Fabaceae
Populus ussuriensis	Populus	Salicaceae
Calicotome villosa	Calicotome	Fabaceae
Mentha arvensis	Mentha	Lamiaceae
Marrubium vulgare	Marrubium	Lamiaceae
Strychnos camptoneura	Strychnos	Loganiaceae
Taraxacum coreanum	Taraxacum	Asteraceae
Cinnamomum kotoense	Cinnamomum	Lauraceae
Abies veitchii	Abies	Pinaceae
Zanthoxylum ailanthoides	Zanthoxylum	Rutaceae
Epidendrum rigidum	Epidendrum	Orchidaceae
Ainsliaea macrocephala	Ainsliaea	Asteraceae
Dicoma anomala	Dicoma	Asteraceae
Cytisus ratisbonensis	Cytisus	Fabaceae
Luculia pinceana	Luculia	Rubiaceae
Marrubium cylleneum	Marrubium	Lamiaceae
Vellozia nivea	Vellozia	Velloziaceae
Buxus microphylla	Buxus	Buxaceae
Pityrogramma ebenea	Pityrogramma	Pteridaceae
Casearia membranacea	Casearia	Salicaceae
Lonicera fulvotomentosa	Lonicera	Caprifoliaceae
Galeopsis tetrahit	Galeopsis	Lamiaceae
Conospermum teretifolium	Conospermum	Proteaceae
Nepeta cataria	Nepeta	Lamiaceae
Bistorta vivipara	Bistorta	Polygonaceae
Spirodela polyrhiza	Spirodela	Araceae
Cirsium wallichii	Cirsium	Asteraceae
Persicaria orientalis	Persicaria	Polygonaceae
Solanum bahamense	Solanum	Solanaceae
Glechoma grandis	Glechoma	Lamiaceae
Aster sedifolius	Aster	Asteraceae
Sigesbeckia pubescens	Sigesbeckia	Asteraceae
Tinospora smilacina	Tinospora	Menispermaceae
Artemisia annua	Artemisia	Asteraceae
Taraxacum officinale	Taraxacum	Asteraceae
Tinospora crispa	Tinospora	Menispermaceae
Tetrapanax papyrifer	Tetrapanax	Araliaceae
Pteris multifida	Pteris	Pteridaceae
Taraxacum mongolicum	Taraxacum	Asteraceae
Swertia swertopsis	Swertia	Gentianaceae
Premna tomentosa	Premna	Lamiaceae
Sagittaria sagittifolia	Sagittaria	Alismataceae
Cunonia macrophylla	Cunonia	Cunoniaceae
Tsuga chinensis	Tsuga	Pinaceae
Taxus brevifolia	Taxus	Taxaceae
Virgilia divaricata	Virgilia	Fabaceae
Entada rheedei	Entada	Fabaceae
Humulus japonicus	Humulus	Cannabaceae
Aucuba chinensis	Aucuba	Garryaceae
Utricularia australis	Utricularia	Lentibulariaceae
Amsinckia tessellata	Amsinckia	Boraginaceae
Carica dodecaphylla	Carica	Caricaceae
Citrus tangerina	Citrus	Rutaceae
Sarcomelicope argyrophylla	Sarcomelicope	Rutaceae
Crocus minimus	Crocus	Iridaceae
Curculigo pilosa	Curculigo	Hypoxidaceae
Sideritis euboea	Sideritis	Lamiaceae
Osteospermum muricatum	Osteospermum	Asteraceae
Centaurea huber-morathii	Centaurea	Asteraceae
Sisyrinchium californicum	Sisyrinchium	Iridaceae
Saussurea amara	Saussurea	Asteraceae
Lysiana subfalcata	Lysiana	Loranthaceae
Haplophyllum ramosissimum	Haplophyllum	Rutaceae
Peperomia vulcanica	Peperomia	Piperaceae
Sorbus tianschanica	Sorbus	Rosaceae
Platycarya strobilacea	Platycarya	Juglandaceae
Helichrysum mixtum	Helichrysum	Asteraceae
Cynometra lujae	Cynometra	Fabaceae
Aspalathus linearis	Aspalathus	Fabaceae
Eupatorium areolare	Eupatorium	Asteraceae
Stephania elegans	Stephania	Menispermaceae
Pygeum topengii	Pygeum	Rosaceae
Olea europaea	Olea	Oleaceae
Isodon rubescens	Isodon	Lamiaceae
Prunus mume	Prunus	Rosaceae
Sigesbeckia glabrescens	Sigesbeckia	Asteraceae
Leptactina senegambica	Leptactina	Rubiaceae
Aglaia elliptica	Aglaia	Meliaceae
Brickellia vernicosa	Brickellia	Asteraceae
Macaranga peltata	Macaranga	Euphorbiaceae
Samadera indica	Samadera	Simaroubaceae
Echinopsis radix	Echinopsis	Cactaceae
Chrysanthemum morifolium	Chrysanthemum	Asteraceae
Lavandula vera	Lavandula	Lamiaceae
Helichrysum nitens	Helichrysum	Asteraceae
Aconitum leucostomum	Aconitum	Ranunculaceae
Nelumbo nucifera	Nelumbo	Nelumbonaceae
Rheedia acuminata	Rheedia	Clusiaceae
Acacia aulacocarpa	Acacia	Fabaceae
Bunias orientalis	Bunias	Brassicaceae
Aspidosperma subincanum	Aspidosperma	Apocynaceae
Aquilegia ecalcarata	Aquilegia	Ranunculaceae
Phlomoides rotata	Phlomoides	Lamiaceae
Lippia sidoides	Lippia	Verbenaceae
Lonicera confusa	Lonicera	Caprifoliaceae
Alangium ridleyi	Alangium	Cornaceae
Portulaca oleracea	Portulaca	Portulacaceae
Hedysarum denticulatum	Hedysarum	Fabaceae
Persea mexicana	Persea	Lauraceae
Trichosanthes rosthornii	Trichosanthes	Cucurbitaceae
Ardisia neriifolia	Ardisia	Primulaceae
Psiadia dentata	Psiadia	Asteraceae
Codonopsis radix	Codonopsis	Campanulaceae
Veratrum grandiflorum	Veratrum	Melanthiaceae
Centaurea hermannii	Centaurea	Asteraceae
Zanthoxylum myriacanthum	Zanthoxylum	Rutaceae
Peritassa compta	Peritassa	Celastraceae
Eupatorium argentinum	Eupatorium	Asteraceae
Lawsonia inermis	Lawsonia	Lythraceae
Strychnos ligustrina	Strychnos	Loganiaceae
Castanea crenata	Castanea	Fagaceae
Anaphalis araneosa	Anaphalis	Asteraceae
Phebalium whitei	Phebalium	Rutaceae
Bhesa nitidissima	Bhesa	Centroplacaceae
Globularia davisiana	Globularia	Plantaginaceae
Psorothamnus spinosus	Psorothamnus	Fabaceae
Euphorbia humifusa	Euphorbia	Euphorbiaceae
Rumex nepalensis	Rumex	Polygonaceae
Ligularia songarica	Ligularia	Asteraceae
Rosa agrestis	Rosa	Rosaceae
Vitis betulifolia	Vitis	Vitaceae
Cryptocarya aschersoniana	Cryptocarya	Lauraceae
Viguiera stenoloba	Viguiera	Asteraceae
Humulus scandens	Humulus	Cannabaceae
Dolichos lablab l	Dolichos	Fabaceae
Juniperus brevifolia	Juniperus	Cupressaceae
Rothmannia wittii	Rothmannia	Rubiaceae
Kali turgidum	Kali	Chenopodiaceae
Vatica diospyroides	Vatica	Dipterocarpaceae
Gardenia tubifera	Gardenia	Rubiaceae
Mollugo spergula	Mollugo	Molluginaceae
Corydalis calliantha	Corydalis	Papaveraceae
Colchicum robustum	Colchicum	Colchicaceae
Crataegus monogyna	Crataegus	Rosaceae
Panax innovans	Panax	Araliaceae
Ranzania japonica	Ranzania	Berberidaceae
Veronica kellereri	Veronica	Plantaginaceae
Guatteria boliviana	Guatteria	Annonaceae
Brandisia hancei	Brandisia	Orobanchaceae
Impatiens edgeworthii	Impatiens	Balsaminaceae
Salvia urolepis	Salvia	Lamiaceae
Artemisia kurramensis	Artemisia	Asteraceae
Buphthalmum salicifolium	Buphthalmum	Asteraceae
Blumea mollis	Blumea	Asteraceae
Episcia cupreata	Episcia	Gesneriaceae
Enceliopsis argophylla	Enceliopsis	Asteraceae
Anemone flaccida	Anemone	Ranunculaceae
Pithecellobium clypearia	Pithecellobium	Fabaceae
Perilla frutescens	Perilla	Lamiaceae
Schizonepeta tenuifolia	Schizonepeta	Lamiaceae
Euphorbia clarkeana	Euphorbia	Euphorbiaceae
Inula japonica	Inula	Asteraceae
Nicotiana affinis	Nicotiana	Solanaceae
Jasonia candicans	Jasonia	Asteraceae
Annona rensoniana	Annona	Annonaceae
Senecio sandersonii	Senecio	Asteraceae
Gardenia jasminoides	Gardenia	Rubiaceae
Parablechnum minus	Parablechnum	Blechnaceae
Miliusa velutina	Miliusa	Annonaceae
Garcinia quaesita	Garcinia	Clusiaceae

Ingredient ID: NPC174720
Formula: C53H86O21

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H](C5(C)C)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C53H86O21/c1-23-32(56)35(59)39(63)45(69-23)73-42-27(20-54)70-43(41(65)37(42)61)68-22-28-34(58)36(60)40(64)46(71-28)74-47(66)53-17-15-48(2,3)19-25(53)24-9-10-30-50(6)13-12-31(72-44-38(62)33(57)26(55)21-67-44)49(4,5)29(50)11-14-52(30,8)51(24,7)16-18-53/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1
Standard InCHIKey	XPZZGRWYXQODIS-SEHMIGTGSA-N
Ingredient External Links	PubChem CID: 21626481
Plant-Ingredient Association Reference	Database: UNPD [UNPD176916] Database: NPASS [NPC174720]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Eleutherococcus senticosus	Eleutherococcus	Araliaceae
Centaurea hermannii	Centaurea	Asteraceae
Clematis chinensis	Clematis	Ranunculaceae

Ingredient ID: NPC174197
Formula: C64H104O30

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)OC(=O)[C@]12CC[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)CC[C@@H]([C@@]3(C)CO)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)[C@@H]2CC(CC1)(C)C)C
Standard InCHI	InChI=1S/C64H104O30/c1-25-36(69)41(74)46(79)53(85-25)91-49-31(21-66)88-52(48(81)44(49)77)84-23-32-40(73)43(76)51(93-55-45(78)39(72)30(20-65)87-55)57(89-32)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-67)33(60)11-14-63(34,8)62(27,7)16-18-64)90-56-50(38(71)29(68)22-83-56)92-54-47(80)42(75)37(70)26(2)86-54/h9,25-26,28-57,65-81H,10-24H2,1-8H3/t25-,26-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,60-,61-,62+,63+,64-/m0/s1
Standard InCHIKey	XICBWSPITIUHPJ-NIGGFQRISA-N
Ingredient External Links	PubChem CID: 102271941
Plant-Ingredient Association Reference	Database: UNPD [UNPD37712]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC151740
Formula: C61H98O27

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2O)O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C61H98O27/c1-25-36(65)40(69)44(73)51(81-25)86-48-32(23-78-27(3)63)84-50(47(76)43(48)72)80-22-31-39(68)42(71)46(75)53(83-31)88-55(77)61-18-16-56(4,5)20-29(61)28-10-11-34-57(6)14-13-35(58(7,24-62)33(57)12-15-60(34,9)59(28,8)17-19-61)85-54-49(38(67)30(64)21-79-54)87-52-45(74)41(70)37(66)26(2)82-52/h10,25-26,29-54,62,64-76H,11-24H2,1-9H3/t25-,26-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,57-,58-,59+,60+,61-/m0/s1
Standard InCHIKey	YYMHTAGTVKFQOP-KZYQMVRLSA-N
Ingredient External Links	PubChem CID: 21636378
Plant-Ingredient Association Reference	Database: UNPD [UNPD52548]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC123519
Formula: C30H26O14

Common Name	n.a.
IUPAC Name	[(2R,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	O=C(OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+/t22-,26-,28+,29-,30+/m1/s1
Standard InCHIKey	AINXWDZMEIYUSK-PDAWMBKQSA-N
Ingredient External Links	PubChem CID: 101687176
Plant-Ingredient Association Reference	Database: UNPD [UNPD190609]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Pygeum topengii	Pygeum	Rosaceae
Centaurea hermannii	Centaurea	Asteraceae
Crataegus monogyna	Crataegus	Rosaceae

Ingredient ID: NPC116986
Formula: C54H86O22

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=C4CC(CC3)(C)C)C=C[C@H]3[C@@]5(C)CC[C@@H]4[C@]3(C)CC[C@@H](C4(C)C)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C54H86O22/c1-23-32(57)35(60)39(64)45(70-23)75-43-27(21-56)72-44(42(67)38(43)63)69-22-28-34(59)37(62)41(66)47(73-28)76-48(68)54-17-15-49(2,3)19-25(54)24-9-10-30-51(6)13-12-31(74-46-40(65)36(61)33(58)26(20-55)71-46)50(4,5)29(51)11-14-53(30,8)52(24,7)16-18-54/h9-10,23,26-47,55-67H,11-22H2,1-8H3/t23-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,51-,52+,53+,54-/m0/s1
Standard InCHIKey	HQDDUHPRGCHBRV-UXYVOALQSA-N
Ingredient External Links	PubChem CID: 102271936
Plant-Ingredient Association Reference	Database: UNPD [UNPD123766]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC116361
Formula: C48H78O18

Common Name	n.a.
IUPAC Name	[(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] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]4[C@@H]4[C@](CC3)(C)[C@]3(C)CC[C@@H]5[C@]([C@H]3CC4)(C)CC[C@@H](C5(C)C)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C(=C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C48H78O18/c1-21(2)22-10-15-48(43(60)66-42-39(59)36(56)33(53)26(64-42)20-61-40-37(57)34(54)31(51)24(18-49)62-40)17-16-46(6)23(30(22)48)8-9-28-45(5)13-12-29(44(3,4)27(45)11-14-47(28,46)7)65-41-38(58)35(55)32(52)25(19-50)63-41/h22-42,49-59H,1,8-20H2,2-7H3/t22-,23+,24+,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,45-,46+,47+,48-/m0/s1
Standard InCHIKey	LOHPNXPOCRDJSL-JZYZLOROSA-N
Ingredient External Links	PubChem CID: 88134720
Plant-Ingredient Association Reference	Database: UNPD [UNPD96567]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Ingredient ID: NPC105859
Formula: C61H98O27

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aR,6bR,8aR,9R,10S,12aR,14aS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1(C2=CC(CC1)(C)C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2O)O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C61H98O27/c1-25-36(65)40(69)44(73)51(81-25)86-48-32(23-78-27(3)63)84-50(47(76)43(48)72)80-22-31-39(68)42(71)46(75)53(83-31)88-55(77)61-18-16-56(4,5)20-29(61)28-10-11-34-57(6)14-13-35(58(7,24-62)33(57)12-15-60(34,9)59(28,8)17-19-61)85-54-49(38(67)30(64)21-79-54)87-52-45(74)41(70)37(66)26(2)82-52/h20,25-26,28,30-54,62,64-76H,10-19,21-24H2,1-9H3/t25-,26-,28+,30-,31+,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,57-,58-,59+,60+,61-/m0/s1
Standard InCHIKey	BGBWTEGJEXNBFH-RJRTVKOJSA-N
Ingredient External Links	PubChem CID: 102271938
Plant-Ingredient Association Reference	Database: UNPD [UNPD2877]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Centaurea hermannii	Centaurea	Asteraceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC105859	C61H98O27		1262.629548	-5.8355		3.474	27	14		0	10	88	0
NPC116361	C48H78O18	[(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] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate	942.5188157	-3.0487	4.76	5.456	18	11	294.98	11	8	66	4
NPC116986	C54H86O22		1086.561074	-3.9102		3.792	22	13		0	9	76	0
NPC123519	C30H26O14	[(2R,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	610.1322555	-4.7708	3.22	0.49	7	9	243.9	7	5	44	1
NPC151740	C61H98O27		1262.629548	-5.9631		2.855	27	14		0	10	88	0
NPC174197	C64H104O30		1352.661242	-7.5784		0.821	30	17		0	11	94	0
NPC174720	C53H86O21		1058.56616	-4.0046	4.98	4.081	21	12	333.67	31	9	74	3
NPC189142	C21H20O11	Galuteolin	448.1	-4.0917	2.56	-0.075	6	7	186.37	11	4	32	1
NPC190927	C61H98O27		1262.629548	-5.4455		2.964	27	14		0	10	88	0
NPC203804	C54H88O22		1088.576724	-4.2956		4.193	22	13		0	9	76	0
NPC218488	C27H30O16		610.1533849	-6.3274	2.67	-2.579	11	11	276.52	17	5	43	2
NPC238671	C65H106O31		1382.671807	-8.0891		0.578	31	18		0	11	96	0
NPC241629	C54H88O23		1104.571639	-5.4784		3.325	23	14		0	9	77	0
NPC262783	C53H86O22		1074.561074	-4.5777		3.058	22	13		0	9	75	0
NPC272435	C27H30O16		610.1533849	-6.3274	2.67	-2.579	11	11	276.52	6	5	43	2
NPC272801	C61H98O26		1246.634633	-4.8724		3.987	26	13		0	10	87	0
NPC289774	C21H20O10	Isovitexin	432.11	-4.1202	2.67	-0.508	6	7	177.14	10	4	31	1
NPC3853	C59H96O26		1220.618983	-5.8246		2.224	26	15		0	10	85	0
NPC47923	C27H30O15		594.1584703	-5.8671	2.78	-2.045	11	10	256.29	16	5	42	2
NPC53545	C21H20O11	Isoorientin	448.1	-4.5805	2.56	-1.042	6	8	197.37	11	4	32	1
NPC66851	C64H104O30		1352.661242	-7.5784		0.821	30	17		0	11	94	0
NPC67857	C59H96O25	Hederasaponin B	1204.62	-5.2515	5.2	3.247	25	14	392.59	36	10	84	3
NPC6857	C60H96O26		1232.618983	-5.1571		2.958	26	15		0	10	86	0
NPC76972	C59H96O26	Kalopanaxsaponin B	1220.62	-6.3422	5.09	2.115	26	15	412.82	37	10	85	3

Download Data

All data can be downloaded by:

→ Selecting data type in the below download table
→ Then click the download button.

Data Section	Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)
2. Physico-chemical Properties