CMAUP Plant Ingredients

21 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.

6 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC8214
Formula: C29H30O14

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@]([C@H]2C=C)(O)CCOC3=O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c(O)cc(cc1c1cccc(c1)O)O
Standard InCHI	InChI=1S/C29H30O14/c1-2-17-27(40-12-18-25(36)39-7-6-29(17,18)38)43-28-24(23(35)22(34)20(11-30)41-28)42-26(37)21-16(9-15(32)10-19(21)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,17,20,22-24,27-28,30-35,38H,1,6-7,11H2/t17-,20+,22+,23-,24+,27-,28-,29+/m0/s1
Standard InCHIKey	UZYZCCWBBBCDAD-WCYQFIIKSA-N
Ingredient External Links	PubChem CID: 45359883
Plant-Ingredient Association Reference	Database: UNPD [UNPD101641]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Gentiana scabra	Gentiana	Gentianaceae
Nitraria tangutorum	Nitraria	Nitrariaceae
Swertia pseudochinensis	Swertia	Gentianaceae
Gentiana rigescens	Gentiana	Gentianaceae
Swertia chinensis	Swertia	Gentianaceae
Drypetes molunduana	Drypetes	Putranjivaceae
Gentiana manshurica	Gentiana	Gentianaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Swertia japonica	Swertia	Gentianaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae

Ingredient ID: NPC70943
Formula: C20H20O11

Common Name	n.a.
IUPAC Name	2,8-dihydroxy-6-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2c(O)ccc3c2c(=O)c2c(o3)cc(cc2O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-10-3-2-8(22)19(14(10)16(13)25)31-20-18(27)17(26)15(24)12(6-21)30-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20+/m1/s1
Standard InCHIKey	VIUYJOIABSSSIN-DPZUNCSASA-N
Ingredient External Links	PubChem CID: 102506431
Plant-Ingredient Association Reference	Database: UNPD [UNPD118680]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Drypetes molunduana	Drypetes	Putranjivaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae

Ingredient ID: NPC68370
Formula: C52H62O28

Common Name	n.a.
IUPAC Name	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
Canonical SMILES	OC[C@H]1O[C@H](O[C@]2(COC(=O)/C=C/c3ccc(cc3)O)O[C@@H]([C@H]([C@@H]2OC(=O)c2ccccc2)O)CO)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)OC)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)C)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C52H62O28/c1-24(57)71-44-38(63)32(20-54)73-50(42(44)67)76-45-43(75-36(61)17-12-26-10-15-29(59)30(18-26)69-2)34(22-56)74-51(46(45)77-49-41(66)40(65)37(62)31(19-53)72-49)80-52(23-70-35(60)16-11-25-8-13-28(58)14-9-25)47(39(64)33(21-55)79-52)78-48(68)27-6-4-3-5-7-27/h3-18,31-34,37-47,49-51,53-56,58-59,62-67H,19-23H2,1-2H3/b16-11+,17-12+/t31-,32-,33-,34-,37-,38-,39-,40+,41-,42-,43-,44+,45+,46-,47+,49+,50+,51-,52+/m1/s1
Standard InCHIKey	WCHQJKJRIOEJFN-KNRJIOGVSA-N
Ingredient External Links	PubChem CID: 6325174
Plant-Ingredient Association Reference	Database: TCMID [7711]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Polygala fallax	Polygala	Polygalaceae

Ingredient ID: NPC62042
Formula: C14H10O6

Common Name	Gentiakochianin
IUPAC Name	1,2,8-trihydroxy-6-methoxyxanthen-9-one
Canonical SMILES	COc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1)O
Standard InCHI	InChI=1S/C14H10O6/c1-19-6-4-8(16)11-10(5-6)20-9-3-2-7(15)13(17)12(9)14(11)18/h2-5,15-17H,1H3
Standard InCHIKey	BDBVOZGRVBXANN-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5281661 ZINC ID: ZINC000005998778 ChEMBL ID: CHEMBL187044
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC62042]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Gentiana scabra	Gentiana	Gentianaceae
Gentiana brachyphylla	Gentiana	Gentianaceae
Cotula cinerea	Cotula	Asteraceae
Swertia pseudochinensis	Swertia	Gentianaceae
Swertia decora	Swertia	Gentianaceae
Drypetes molunduana	Drypetes	Putranjivaceae
Gentiana kochiana	Gentiana	Gentianaceae
Swertia calycina	Swertia	Gentianaceae
Swertia angustifolia	Swertia	Gentianaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Swertia japonica	Swertia	Gentianaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae
Smirnowia iranica	Smirnowia	Fabaceae

Ingredient ID: NPC61620
Formula: C13H8O6

Common Name	Demethylbellidifolin
IUPAC Name	1,3,5,8-tetrahydroxyxanthen-9-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O
Standard InCHI	InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
Standard InCHIKey	MPXAWSABMVLIBU-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5281626 ZINC ID: ZINC000006092269 ChEMBL ID: CHEMBL184574
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC61620]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Gentiana bellidifolia	Gentiana	Gentianaceae
Drypetes molunduana	Drypetes	Putranjivaceae
Swertia leducii	Swertia	Gentianaceae
Gentiana kochiana	Gentiana	Gentianaceae
Swertia calycina	Swertia	Gentianaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Swertia japonica	Swertia	Gentianaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae
Gentiana strictiflora	Gentiana	Gentianaceae

Ingredient ID: NPC55407
Formula: C19H18O11

Common Name	n.a.
IUPAC Name	1,2,6-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)ccc(c2O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C19H18O11/c20-5-11-15(24)17(26)18(27)19(30-11)29-10-4-6(21)3-9-12(10)16(25)13-8(28-9)2-1-7(22)14(13)23/h1-4,11,15,17-24,26-27H,5H2/t11-,15-,17+,18-,19-/m1/s1
Standard InCHIKey	VPQXRORFMPZBTB-IEXOMYFASA-N
Ingredient External Links	PubChem CID: 5321888
Plant-Ingredient Association Reference	Database: UNPD [UNPD171284]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Drypetes molunduana	Drypetes	Putranjivaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae
Taxus baccata	Taxus	Taxaceae

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: NPC301683
Formula: C25H28O15

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)c2c(c1)oc1c(c2=O)c(O)c(cc1)O
Standard InCHI	InChI=1S/C25H28O15/c1-35-8-4-12-15(20(31)16-11(38-12)3-2-9(26)17(16)28)13(5-8)39-25-23(34)21(32)19(30)14(40-25)7-37-24-22(33)18(29)10(27)6-36-24/h2-5,10,14,18-19,21-30,32-34H,6-7H2,1H3/t10-,14-,18+,19-,21+,22-,23-,24+,25-/m1/s1
Standard InCHIKey	JABRWMGPPUGKII-IOANSPMESA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD119439] Database: NPASS [NPC301683]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Drypetes molunduana	Drypetes	Putranjivaceae
Gentiana kochiana	Gentiana	Gentianaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae

Ingredient ID: NPC276930
Formula: C13H8O6

Common Name	1,2,6,8-Tetrahydroxyxanthen-9-One
IUPAC Name	1,2,6,8-tetrahydroxyxanthen-9-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1)O
Standard InCHI	InChI=1S/C13H8O6/c14-5-3-7(16)10-9(4-5)19-8-2-1-6(15)12(17)11(8)13(10)18/h1-4,14-17H
Standard InCHIKey	RVOUOPDWADMVBA-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5281658 ZINC ID: ZINC000006093875 ChEMBL ID: CHEMBL187043
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC276930]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Drypetes molunduana	Drypetes	Putranjivaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Swertia japonica	Swertia	Gentianaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae
Papaver somniferum	Papaver	Papaveraceae

Ingredient ID: NPC269607
Formula: C19H18O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(ccc1O)/C=C1/C(=O)[C@H]2C[C@@]34[C@@]([C@H]1OCC3)(O2)COC4=O
Standard InCHI	InChI=1S/C19H18O7/c1-23-13-7-10(2-3-12(13)20)6-11-15(21)14-8-18-4-5-24-16(11)19(18,26-14)9-25-17(18)22/h2-3,6-7,14,16,20H,4-5,8-9H2,1H3/b11-6-/t14-,16+,18+,19-/m1/s1
Standard InCHIKey	CQSNWXGNQFOKPO-IJPSDTQASA-N
Ingredient External Links	PubChem CID: 10861259
Plant-Ingredient Association Reference	Database: TCMID [17623]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Polygala fallax	Polygala	Polygalaceae

Ingredient ID: NPC268053
Formula: C51H60O27

Common Name	n.a.
IUPAC Name	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
Canonical SMILES	OC[C@H]1O[C@H](O[C@]2(COC(=O)/C=C/c3ccc(cc3)O)O[C@@H]([C@H]([C@@H]2OC(=O)c2ccccc2)O)CO)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)C)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C51H60O27/c1-24(56)69-43-37(62)31(20-53)71-49(41(43)66)74-44-42(73-35(60)18-12-26-9-15-29(58)16-10-26)33(22-55)72-50(45(44)75-48-40(65)39(64)36(61)30(19-52)70-48)78-51(23-68-34(59)17-11-25-7-13-28(57)14-8-25)46(38(63)32(21-54)77-51)76-47(67)27-5-3-2-4-6-27/h2-18,30-33,36-46,48-50,52-55,57-58,61-66H,19-23H2,1H3/b17-11+,18-12+/t30-,31-,32-,33-,36-,37-,38-,39+,40-,41-,42-,43+,44+,45-,46+,48+,49+,50-,51+/m1/s1
Standard InCHIKey	LBAIVQBWPMTGBJ-CIFYDFEVSA-N
Ingredient External Links	PubChem CID: 11968463
Plant-Ingredient Association Reference	Database: TCMID [7710]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Polygala fallax	Polygala	Polygalaceae

Ingredient ID: NPC242260
Formula: C15H12O7

Common Name	n.a.
IUPAC Name	1,3,6-trihydroxy-2,7-dimethoxyxanthen-9-one
Canonical SMILES	COc1cc2c(cc1O)oc1c(c2=O)c(O)c(c(c1)O)OC
Standard InCHI	InChI=1S/C15H12O7/c1-20-10-3-6-9(4-7(10)16)22-11-5-8(17)15(21-2)14(19)12(11)13(6)18/h3-5,16-17,19H,1-2H3
Standard InCHIKey	MEDZADGBRDMLGM-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5320291 ZINC ID: ZINC000003782686
Plant-Ingredient Association Reference	Database: TCMID [16099]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Carthamus tinctorius	Carthamus	Asteraceae
Polygala sibirica	Polygala	Polygalaceae
Polygala tenuifolia	Polygala	Polygalaceae
Polygala fallax	Polygala	Polygalaceae
Securidaca inappendiculata	Securidaca	Polygalaceae

Ingredient ID: NPC230361
Formula: C23H26O11

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxybenzoate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@H]([C@H]2C=C)CCOC3=O)[C@@H]([C@H]([C@@H]1O)OC(=O)c1cccc(c1)O)O
Standard InCHI	InChI=1S/C23H26O11/c1-2-13-14-6-7-30-21(29)15(14)10-31-22(13)34-23-18(27)19(17(26)16(9-24)32-23)33-20(28)11-4-3-5-12(25)8-11/h2-5,8,10,13-14,16-19,22-27H,1,6-7,9H2/t13-,14+,16-,17-,18-,19+,22+,23+/m1/s1
Standard InCHIKey	JHCLMPIGKNWZOZ-WFFJNAPESA-N
Ingredient External Links	PubChem CID: 157079 ZINC ID: ZINC000095910358
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Drypetes molunduana	Drypetes	Putranjivaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae

Ingredient ID: NPC228383
Formula: C19H18O11

Common Name	Mangiferin
IUPAC Name	1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)c1c(o2)cc(c(c1)O)O
Standard InCHI	InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
Standard InCHIKey	AEDDIBAIWPIIBD-ZJKJAXBQSA-N
Ingredient External Links	PubChem CID: 5281647 ZINC ID: ZINC000004098535 ChEMBL ID: CHEMBL464825
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC228383]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia montana	Artemisia	Asteraceae
Silene fortunei	Silene	Caryophyllaceae
Teucrium leucocladum	Teucrium	Lamiaceae
Elaeagnus commutata	Elaeagnus	Elaeagnaceae
Ageratina adenophora	Ageratina	Asteraceae
Adenopeltis colliguaya	Adenopeltis	Euphorbiaceae
Peucedanum longifolium	Peucedanum	Apiaceae
Quercus mongolica	Quercus	Fagaceae
Cneorum pulverulentum	Cneorum	Rutaceae
Swertia corymbosa	Swertia	Gentianaceae
Perityle vaseyi	Perityle	Asteraceae
Pedicularis condensata	Pedicularis	Orobanchaceae
Palafoxia rosea	Palafoxia	Asteraceae
Chrozophora obliqua	Chrozophora	Euphorbiaceae
Narcissus concolor	Narcissus	Amaryllidaceae
Senecio flavus	Senecio	Asteraceae
Salvia coulteri	Salvia	Lamiaceae
Swertia pseudochinensis	Swertia	Gentianaceae
Porella swartziana	Porella	Porellaceae
Swertia franchetiana	Swertia	Gentianaceae
Meconopsis napaulensis	Meconopsis	Papaveraceae
Rheum webbianum	Rheum	Polygonaceae
Mascarenhasia arborescens	Mascarenhasia	Apocynaceae
Eucalyptus flocktoniae	Eucalyptus	Myrtaceae
Kummerowia striata	Kummerowia	Fabaceae
Swertia punctata	Swertia	Gentianaceae
Astragalus mongholicus	Astragalus	Fabaceae
Thymbra spicata	Thymbra	Lamiaceae
Phoebe formosana	Phoebe	Lauraceae
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
Drypetes molunduana	Drypetes	Putranjivaceae
Jaborosa caulescens	Jaborosa	Solanaceae
Cratoxylum pruniflorum	Cratoxylum	Hypericaceae
Verbena triphylla	Verbena	Verbenaceae
Polygala sibirica	Polygala	Polygalaceae
Capsicum tetragonum	Capsicum	Solanaceae
Heracleum sphondylium	Heracleum	Apiaceae
Bituminaria bituminosa	Bituminaria	Fabaceae
Pyrrosia petiolosa	Pyrrosia	Polypodiaceae
Astragalus membranaceus	Astragalus	Fabaceae
Cratoxylum cochinchinense	Cratoxylum	Hypericaceae
Lycoris traubii	Lycoris	Amaryllidaceae
Dalbergia stipulacea	Dalbergia	Fabaceae
Cordylanthus kingii	Cordylanthus	Orobanchaceae
Anemarrhena asphodeloides	Anemarrhena	Asparagaceae
Lygodium flexuosum	Lygodium	Lygodiaceae
Polygala tenuifolia	Polygala	Polygalaceae
Annona impressivenia	Annona	Annonaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Swertia japonica	Swertia	Gentianaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Strychnos staudtii	Strychnos	Loganiaceae
Dictyoloma incanescens	Dictyoloma	Rutaceae
Alseodaphne corneri	Alseodaphne	Lauraceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Thymus piperella	Thymus	Lamiaceae
Saccharum spontaneum	Saccharum	Poaceae
Forsteronia refracta	Forsteronia	Apocynaceae
Eragrostis viscosa	Eragrostis	Poaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae
Crotalaria anagyroides	Crotalaria	Fabaceae
Nauclea officinalis	Nauclea	Rubiaceae
Grewia mollis	Grewia	Malvaceae
Heterotheca grandiflora	Heterotheca	Asteraceae
Croton cumingii	Croton	Euphorbiaceae
Bersama yangambiensis	Bersama	Melianthaceae
Dasymaschalon sootepense	Dasymaschalon	Annonaceae
Croton poilanei	Croton	Euphorbiaceae
Ruta pinnata	Ruta	Rutaceae
Tsuga mertensiana	Tsuga	Pinaceae
Disynaphia halimifolia	Disynaphia	Asteraceae
Panax ginseng	Panax	Araliaceae
Kaunia saltensis	Kaunia	Asteraceae
Heliotropium floridum	Heliotropium	Heliotropiaceae
Guatteria melosma	Guatteria	Annonaceae
Castanopsis sclerophylla	Castanopsis	Fagaceae
Gymnocarpium robertianum	Gymnocarpium	Cystopteridaceae
Oncoba echinata	Oncoba	Salicaceae
Salvia dorrii	Salvia	Lamiaceae
Juglans nigra	Juglans	Juglandaceae
Teucrium depressum	Teucrium	Lamiaceae
Securinega melanthesoides	Securinega	Phyllanthaceae
Mangifera indica	Mangifera	Anacardiaceae
Euonymus sachalinensis	Euonymus	Celastraceae
Aconitum nevadense	Aconitum	Ranunculaceae
Felicia erigeroides	Felicia	Asteraceae
Trichilia rubescens	Trichilia	Meliaceae
Conocephalum japonicum	Conocephalum	Conocephalaceae
Lupinus paniculatus	Lupinus	Fabaceae
Hovenia acerba	Hovenia	Rhamnaceae
Stevia polycephala	Stevia	Asteraceae
Boehmeria nivea	Boehmeria	Urticaceae
Sophora angustifolia	Sophora	Fabaceae
Urena lobata	Urena	Malvaceae
Kaempferia marginata	Kaempferia	Zingiberaceae
Fridericia chica	Fridericia	Bignoniaceae
Jungermannia obovata	Jungermannia	Jungermanniaceae
Gentiana lutea	Gentiana	Gentianaceae
Doodia picta	Doodia	Blechnaceae
Hypericum perforatum	Hypericum	Hypericaceae
Alnus firma	Alnus	Betulaceae
Turraeanthus mannii	Turraeanthus	Meliaceae
Coleus garckeanus	Coleus	Lamiaceae
Solanum sisymbriifolium	Solanum	Solanaceae
Gerbera piloselloides	Gerbera	Asteraceae
Salacia chinensis	Salacia	Celastraceae
Iris domestica	Iris	Iridaceae
Smilax myosotiflora	Smilax	Smilacaceae
Merremia umbellata	Merremia	Convolvulaceae

Ingredient ID: NPC227529
Formula: C17H24O10

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=CC[C@H]1[C@@H](C=C)[C@@H](OC=C1C(=O)OC)O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11+,12+,13-,14+,16+,17-/m1/s1
Standard InCHIKey	CSKKDSFETGLMSB-MXIAYOPSSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD146343]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Drypetes molunduana	Drypetes	Putranjivaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae

Ingredient ID: NPC187656
Formula: C20H20O8

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(C=C2C(=O)C3C[C@]45[C@@]([C@H]2OCC4)(O3)COC5=O)cc(c1O)OC
Standard InCHI	InChI=1S/C20H20O8/c1-24-12-6-10(7-13(25-2)16(12)22)5-11-15(21)14-8-19-3-4-26-17(11)20(19,28-14)9-27-18(19)23/h5-7,14,17,22H,3-4,8-9H2,1-2H3/t14?,17-,19+,20+/m0/s1
Standard InCHIKey	TUVALGATKQAMFP-ADCCBGADSA-N
Ingredient External Links	PubChem CID: 101239053
Plant-Ingredient Association Reference	Database: TCMID [17624]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Polygala fallax	Polygala	Polygalaceae

Ingredient ID: NPC170675
Formula: C19H18O11

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](Oc2ccc(c3c2c(=O)c2c(o3)cc(cc2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(30-11)29-9-2-1-7(22)18-13(9)15(25)12-8(23)3-6(21)4-10(12)28-18/h1-4,11,14,16-17,19-24,26-27H,5H2/t11-,14-,16+,17-,19-/m1/s1
Standard InCHIKey	MYWLBRTZOYHDOU-FJMCMGCSSA-N
Ingredient External Links	ZINC ID: ZINC000004098544
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC170675]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Drypetes molunduana	Drypetes	Putranjivaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae

Ingredient ID: NPC169230
Formula: C29H30O13

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@H]([C@H]2C=C)CCOC3=O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c(O)cc(cc1c1cccc(c1)O)O
Standard InCHI	InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1
Standard InCHIKey	DBOVHQOUSDWAPQ-WTONXPSSSA-N
Ingredient External Links	PubChem CID: 115149 ZINC ID: ZINC000003982136
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Nitraria tangutorum	Nitraria	Nitrariaceae
Drypetes molunduana	Drypetes	Putranjivaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae

Ingredient ID: NPC16579
Formula: C59H74O34

Common Name	n.a.
IUPAC Name	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl] benzoate
Canonical SMILES	OC[C@H]1O[C@@]([C@H]([C@@H]1O)OC(=O)c1ccccc1)(CO)O[C@H]1O[C@H](COC(=O)/C=C/c2ccc(c(c2)OC)O)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)OC(=O)C)O)OC(=O)/C=C/c1ccc(c(c1)OC)O
Standard InCHI	InChI=1S/C59H74O34/c1-25(64)83-50-42(71)36(22-82-55-46(75)44(73)40(69)33(19-60)84-55)86-57(48(50)77)89-51-49(88-39(68)16-12-27-10-14-30(66)32(18-27)80-3)37(23-81-38(67)15-11-26-9-13-29(65)31(17-26)79-2)87-58(52(51)90-56-47(76)45(74)41(70)34(20-61)85-56)93-59(24-63)53(43(72)35(21-62)92-59)91-54(78)28-7-5-4-6-8-28/h4-18,33-37,40-53,55-58,60-63,65-66,69-77H,19-24H2,1-3H3/b15-11+,16-12+/t33-,34-,35-,36-,37-,40-,41-,42-,43-,44+,45+,46-,47-,48-,49-,50+,51+,52-,53+,55-,56+,57-,58-,59+/m1/s1
Standard InCHIKey	XJUQUQXYMHFCLS-XWKGHZHVSA-N
Ingredient External Links	PubChem CID: 6325175
Plant-Ingredient Association Reference	Database: TCMID [7712]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Polygala fallax	Polygala	Polygalaceae

Ingredient ID: NPC162668
Formula: C14H8O6

Common Name	1,7-Dihydroxy-2,3-Methylenedioxyxanthone
IUPAC Name	8,11-dihydroxy-[1,3]dioxolo[4,5-b]xanthen-10-one
Canonical SMILES	Oc1ccc2c(c1)c(=O)c1c(o2)cc2c(c1O)OCO2
Standard InCHI	InChI=1S/C14H8O6/c15-6-1-2-8-7(3-6)12(16)11-9(20-8)4-10-14(13(11)17)19-5-18-10/h1-4,15,17H,5H2
Standard InCHIKey	BMRWSZGEVSNEOM-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5316803 ZINC ID: ZINC000014764165 ChEMBL ID: CHEMBL2436930
Plant-Ingredient Association Reference	Database: NPASS [NPC162668]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glaucium flavum	Glaucium	Papaveraceae
Polygala arillata	Polygala	Polygalaceae
Polygala tenuifolia	Polygala	Polygalaceae
Polygala fallax	Polygala	Polygalaceae
Sesbania bispinosa	Sesbania	Fabaceae

Ingredient ID: NPC150517
Formula: C25H40O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C[C@@H]1CC[C@H]2[C@@H](C)CC[C@]32[C@]([C@@]2([C@@H]1C[C@@]1(C)CC(=O)[C@@H]([C@@H]1C2)C(C)C)O)(C)O3
Standard InCHI	InChI=1S/C25H40O3/c1-14(2)21-19-12-24(27)18(11-22(19,5)13-20(21)26)15(3)7-8-17-16(4)9-10-25(17)23(24,6)28-25/h14-19,21,27H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,21-,22+,23-,24-,25+/m1/s1
Standard InCHIKey	CCWRAFQAZPWQJU-PORHJESSSA-N
Ingredient External Links	PubChem CID: 10548340
Plant-Ingredient Association Reference	Database: UNPD [UNPD97552]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Drypetes molunduana	Drypetes	Putranjivaceae
Calophyllum apetalum	Calophyllum	Calophyllaceae
Consolida oliveriana	Consolida	Ranunculaceae
Polygala fallax	Polygala	Polygalaceae
Lophozia barbata	Lophozia	Scapaniaceae
Monnina emarginata	Monnina	Polygalaceae
Pyrus calleryana	Pyrus	Rosaceae
Wettsteinia inversa	Wettsteinia	Adelanthaceae
Euphorbia makinoi	Euphorbia	Euphorbiaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC150517	C25H40O3		388.2977451	0.4681	3.88	5.407	3	1	49.83	1	5	28	1
NPC162668	C14H8O6	1,7-Dihydroxy-2,3-Methylenedioxyxanthone	272.03	-1.6412	2.34	0.616	1	2	85.22	2	4	20	0
NPC16579	C59H74O34		1326.406149	-8.3665		-1.705	34	15		0	8	93	0
NPC169230	C29H30O13	[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate	586.168641	-3.49	3.22	2.24	10	6	201.67	8	5	42	1
NPC170675	C19H18O11		422.08	-4.006	2.34	-1.457	6	7	186.37	10	4	30	1
NPC187656	C20H20O8		388.1158176	-1.4758	2.78	-0.184	8	1	100.52	3	5	28	0
NPC227529	C17H24O10		388.136947	-2.2572	2.23	-0.647	10	4	151.98	8	2	27	0
NPC228383	C19H18O11	Mangiferin	422.08	-4.4948	2.34	-1.995	6	8	197.37	10	4	30	1
NPC230361	C23H26O11	[(2S,3R,4S,5R,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxybenzoate	478.1475117	-2.5694	2.78	0.579	10	4	161.21	7	4	34	0
NPC242260	C15H12O7	1,3,6-trihydroxy-2,7-dimethoxyxanthen-9-one	304.0583027	-1.9024	2.34	-0.274	1	3	105.45	2	3	22	0
NPC268053	C51H60O27		1104.332197	-6.516		1.142	27	12		0	7	78	0
NPC269607	C19H18O7		358.1052529	-1.424	2.78	0.26	7	1	91.29	2	5	26	0
NPC276930	C13H8O6	1,2,6,8-Tetrahydroxyxanthen-9-One	260.03	-2.2591	2.23	0.08	1	4	107.22	4	3	19	0
NPC301683	C25H28O15		568.14	-4.8337	2.56	-1.803	10	8	234.29	15	5	40	1
NPC53545	C21H20O11	Isoorientin	448.1	-4.5805	2.56	-1.042	6	8	197.37	11	4	32	1
NPC55407	C19H18O11	1,2,6-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one	422.0849114	-4.006	2.34	-1.028	6	7	186.37	3	4	30	1
NPC61620	C13H8O6	Demethylbellidifolin	260.03	-2.2591	2.23	-0.349	1	4	107.22	4	3	19	0
NPC62042	C14H10O6	Gentiakochianin	274.05	-1.8506	2.34	0.599	1	3	96.22	5	3	20	0
NPC68370	C52H62O28		1134.342761	-6.5678		0.487	28	12		0	7	80	0
NPC70943	C20H20O11		436.1005615	-3.5975	2.45	-0.938	11	6	175.37	4	4	31	1
NPC8214	C29H30O14	[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3,4,5,6-tetrahydropyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate	602.1635556	-4.2009	3.11	1.293	11	7	221.9	8	5	43	2

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