CMAUP Plant Ingredients

28 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: NPC96015
Formula: C48H42O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]1O[C@H](Oc2cc(O)cc(c2)[C@H]2c3c(O)cc4c5c3[C@@H]([C@@H]2c2ccc(cc2)O)[C@H](c2ccc(cc2)O)c2c([C@H]5[C@@H](O4)c3ccc(cc3)O)cc(cc2O)O)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C48H42O14/c49-19-34-44(57)45(58)46(59)48(62-34)60-29-14-23(13-27(53)15-29)37-35(20-1-7-24(50)8-2-20)42-36(21-3-9-25(51)10-4-21)38-30(16-28(54)17-31(38)55)39-41-33(18-32(56)40(37)43(41)42)61-47(39)22-5-11-26(52)12-6-22/h1-18,34-37,39,42,44-59H,19H2/t34-,35+,36+,37+,39+,42-,44-,45+,46-,47-,48-/m0/s1
Standard InCHIKey	RANYCRBQZGEUTN-HEQZSQDTSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD7592]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC67812
Formula: C42H32O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]1c2c(O)cc(cc2[C@@H]2c3c4[C@H]1[C@@H](c1ccc(cc1)O)[C@@H](c4c(cc3O[C@H]2c1ccc(cc1)O)O)c1cc(O)cc(c1)O)O
Standard InCHI	InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34+,35-,37+,40-,42-/m0/s1
Standard InCHIKey	MBGBQHRAJPLAPN-DCAXVNOMSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD66763]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC56988
Formula: C84H64O18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]([C@H]1c2cc(O)cc(c2[C@H]([C@H]2c3c1c(O)cc(c3[C@H]([C@H]2c1ccc(cc1)O)c1cc(O)cc(c1)O)O)c1ccc(cc1)O)O)c1c(O)cc(cc1O)[C@@H]1[C@H](c2ccc(cc2)O)[C@@H]2c3c1c(O)cc1c3[C@@H](c3c([C@@H]2c2ccc(cc2)O)c(O)cc(c3)O)[C@H](O1)c1ccc(cc1)O
Standard InCHI	InChI=1S/C84H64O18/c85-44-13-1-36(2-14-44)64-69(42-25-50(91)29-51(92)26-42)76-60(99)34-61(100)78-73(54-30-52(93)32-58(97)71(54)66(80(64)82(76)78)38-5-17-46(87)18-6-38)68(40-9-21-48(89)22-10-40)75-56(95)27-43(28-57(75)96)70-65(37-3-15-45(86)16-4-37)81-67(39-7-19-47(88)20-8-39)72-55(31-53(94)33-59(72)98)74-79-63(35-62(101)77(70)83(79)81)102-84(74)41-11-23-49(90)24-12-41/h1-35,64-70,73-74,80-81,84-101H/t64-,65+,66-,67+,68+,69+,70-,73-,74-,80+,81+,84-/m1/s1
Standard InCHIKey	BREASIWVQKRBKT-REIOUFEUSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD46992]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC34833
Formula: C48H42O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]1O[C@H](Oc2cc(O)cc(c2)[C@H]2c3c(O)cc(c4c3[C@H]([C@@H]2c2ccc(cc2)O)[C@@H]2c3ccc(cc3[C@H]([C@H]4c3c2c(O)cc(c3)O)c2ccc(cc2)O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C48H42O14/c49-18-34-45(58)46(59)47(60)48(62-34)61-27-12-21(11-25(53)13-27)37-36(20-3-7-23(51)8-4-20)43-39-28-10-9-24(52)14-29(28)35(19-1-5-22(50)6-2-19)40(30-15-26(54)16-31(55)38(30)39)42-33(57)17-32(56)41(37)44(42)43/h1-17,34-37,39-40,43,45-60H,18H2/t34-,35+,36+,37+,39+,40+,43+,45-,46+,47-,48-/m0/s1
Standard InCHIKey	VJNCSOQWERNPTK-KDRNYNEZSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD144182]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC3355
Formula: C48H42O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@H](Oc2cc(O)cc(c2)[C@@H]2c3c(O)cc4c5c3[C@@H]([C@@H]2c2ccc(cc2)O)[C@@H](c2ccc(cc2)O)c2c([C@H]5[C@@H](O4)c3ccc(cc3)O)cc(cc2O)O)[C@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C48H42O14/c49-19-34-44(57)45(58)46(59)48(62-34)60-29-14-23(13-27(53)15-29)37-35(20-1-7-24(50)8-2-20)42-36(21-3-9-25(51)10-4-21)38-30(16-28(54)17-31(38)55)39-41-33(18-32(56)40(37)43(41)42)61-47(39)22-5-11-26(52)12-6-22/h1-18,34-37,39,42,44-59H,19H2/t34-,35-,36+,37+,39-,42+,44+,45+,46+,47+,48+/m1/s1
Standard InCHIKey	RANYCRBQZGEUTN-ARCZSGHMSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD37845]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC303422
Formula: C20H22O8

Common Name	Piceid
IUPAC Name	(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(cc3)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
Standard InCHIKey	HSTZMXCBWJGKHG-CUYWLFDKSA-N
Ingredient External Links	PubChem CID: 5281718 ChEMBL ID: CHEMBL142652
Plant-Ingredient Association Reference	Database: UNPD [UNPD155070] Database: NPASS [NPC303422]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Ipomoea digitata	Ipomoea	Convolvulaceae
Flacourtia jangomas	Flacourtia	Salicaceae
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Annona cornifolia	Annona	Annonaceae
Maytenus imbricata	Maytenus	Celastraceae
Polygonum cuspidatum	Polygonum	Polygonaceae
Salvia syriaca	Salvia	Lamiaceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Onobrychis arenaria	Onobrychis	Fabaceae
Solanum laxum	Solanum	Solanaceae
Eria mollis	Eria	Orchidaceae
Dysoxylum cumingianum	Dysoxylum	Meliaceae
Psychotria stachyoides	Psychotria	Rubiaceae
Dodonaea viscosa	Dodonaea	Sapindaceae
Eucalyptus melliodora	Eucalyptus	Myrtaceae
Scutellaria amoena	Scutellaria	Lamiaceae
Teucrium yemense	Teucrium	Lamiaceae
Senecio toluccanus	Senecio	Asteraceae
Goniothalamus malayanus	Goniothalamus	Annonaceae
Neobalanocarpus heimii	Neobalanocarpus	Dipterocarpaceae
Pastinaca sativa	Pastinaca	Apiaceae
Aconitum tasiromontanum	Aconitum	Ranunculaceae
Humulus lupulus	Humulus	Cannabaceae
Dendriopoterium menendezii	Dendriopoterium	Rosaceae
Adansonia grandidieri	Adansonia	Malvaceae
Physalis alkekengi	Physalis	Solanaceae
Lysimachia mauritiana	Lysimachia	Primulaceae
Aphyllocladus denticulatus	Aphyllocladus	Asteraceae
Bassia muricata	Bassia	Chenopodiaceae
Swertia franchetiana	Swertia	Gentianaceae
Senecio subdentatus	Senecio	Asteraceae
Helipterum roseum	Helipterum	Asteraceae
Aconitum seravschanicum	Aconitum	Ranunculaceae
Hedysarum connatum	Hedysarum	Fabaceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Zanthoxylum tetraspermum	Zanthoxylum	Rutaceae
Artemisia assoana	Artemisia	Asteraceae
Dumortiera hirsuta	Dumortiera	Dumortieraceae
Lepisorus ussuriensis	Lepisorus	Polypodiaceae
Alstonia spathulata	Alstonia	Apocynaceae
Phoebe pittieri	Phoebe	Lauraceae
Hypericum laricifolium	Hypericum	Hypericaceae
Vitis vinifera	Vitis	Vitaceae
Hylotelephium telephium	Hylotelephium	Crassulaceae
Adiantum lunulatum	Adiantum	Pteridaceae
Peltostigma guatemalense	Peltostigma	Rutaceae
Acacia adunca	Acacia	Fabaceae
Viguiera incana	Viguiera	Asteraceae
Astragalus sempervirens	Astragalus	Fabaceae
Marrubium anisodon	Marrubium	Lamiaceae
Piper caninum	Piper	Piperaceae
Wikstroemia retusa	Wikstroemia	Thymelaeaceae
Naucleopsis ternstroemiiflora	Naucleopsis	Moraceae
Carica pennata	Carica	Caricaceae
Astragalus cibarius	Astragalus	Fabaceae
Veratrum dahuricum	Veratrum	Melanthiaceae
Vernonia menthaefolia	Vernonia	Asteraceae
Aconitum heterophylloides	Aconitum	Ranunculaceae
Justicia secunda	Justicia	Acanthaceae
Cyperus rotundus	Cyperus	Cyperaceae
Rumex maritimus	Rumex	Polygonaceae
Smilax china	Smilax	Smilacaceae
Vatica rassak	Vatica	Dipterocarpaceae
Aster sedifolius	Aster	Asteraceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Rheum palmatum	Rheum	Polygonaceae
Oroxylum indicum	Oroxylum	Bignoniaceae
Leptactina senegambica	Leptactina	Rubiaceae
Fallopia multiflora	Fallopia	Polygonaceae
Boehmeria nivea	Boehmeria	Urticaceae
Lavandula vera	Lavandula	Lamiaceae
Calostephane divaricata	Calostephane	Asteraceae
Veratrum grandiflorum	Veratrum	Melanthiaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Vaccinium oxycoccos	Vaccinium	Ericaceae
Polyalthia evecta	Polyalthia	Annonaceae
Caragana aurantiaca	Caragana	Fabaceae
Smilax glabra	Smilax	Smilacaceae
Premna odorata	Premna	Lamiaceae
Rheum tanguticum	Rheum	Polygonaceae
Enceliopsis argophylla	Enceliopsis	Asteraceae
Cotyledon secunda	Cotyledon	Crassulaceae
Cotula filicula	Cotula	Asteraceae
Rauvolfia vomitoria	Rauvolfia	Apocynaceae
Gnetum latifolium	Gnetum	Gnetaceae
Miliusa velutina	Miliusa	Annonaceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae
Garcinia quaesita	Garcinia	Clusiaceae

Ingredient ID: NPC302456
Formula: C84H64O18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]([C@H]1c2cc(O)cc(c2[C@@H]([C@H]2c3c1c(O)cc(c3[C@@H]([C@H]2c1ccc(cc1)O)c1cc(O)cc(c1)O)O)c1ccc(cc1)O)O)c1c(O)cc(cc1O)[C@@H]1[C@@H](c2ccc(cc2)O)[C@@H]2c3c1c(O)cc1c3[C@@H](c3c([C@@H]2c2ccc(cc2)O)c(O)cc(c3)O)[C@@H](O1)c1ccc(cc1)O
Standard InCHI	InChI=1S/C84H64O18/c85-44-13-1-36(2-14-44)64-69(42-25-50(91)29-51(92)26-42)76-60(99)34-61(100)78-73(54-30-52(93)32-58(97)71(54)66(80(64)82(76)78)38-5-17-46(87)18-6-38)68(40-9-21-48(89)22-10-40)75-56(95)27-43(28-57(75)96)70-65(37-3-15-45(86)16-4-37)81-67(39-7-19-47(88)20-8-39)72-55(31-53(94)33-59(72)98)74-79-63(35-62(101)77(70)83(79)81)102-84(74)41-11-23-49(90)24-12-41/h1-35,64-70,73-74,80-81,84-101H/t64-,65-,66+,67+,68+,69-,70-,73-,74-,80+,81+,84+/m1/s1
Standard InCHIKey	BREASIWVQKRBKT-CVNOFDODSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD80849]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC289064
Formula: C56H42O12

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@H]1[C@H]2[C@@H](c3ccc(cc3)O)c3c([C@@H]1c1c2c2c(cc1O)O[C@@H]([C@H]2c1cc(O)cc(c1)O)c1ccc(cc1)O)c1c(cc3O)O[C@H]([C@H]1c1cc(O)cc(c1)O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)51(43)54-48(52)40(66)24-42-50(54)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44-,45-,46-,51+,52-,55-,56+/m0/s1
Standard InCHIKey	DTAYOOZOCCYGJM-ROTYRHRASA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD76013]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC287881
Formula: C56H42O12

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@H]1[C@@H]2[C@H](c3ccc(cc3)O)c3c([C@H]1c1c2c2c(cc1O)O[C@H]([C@@H]2c1cc(O)cc(c1)O)c1ccc(cc1)O)c1c(cc3O)O[C@H]([C@@H]1c1cc(O)cc(c1)O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)51(43)54-48(52)40(66)24-42-50(54)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44+,45-,46-,51+,52-,55+,56+/m1/s1
Standard InCHIKey	DTAYOOZOCCYGJM-FCMAYUGISA-N
Ingredient External Links	PubChem CID: 101053432
Plant-Ingredient Association Reference	Database: UNPD [UNPD107866]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC275053
Formula: C14H12O3

Common Name	5-[2-(4-Hydroxyphenyl)Ethenyl]Benzene-1,3-Diol
IUPAC Name	5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Canonical SMILES	Oc1ccc(cc1)C=Cc1cc(O)cc(c1)O
Standard InCHI	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H
Standard InCHIKey	LUKBXSAWLPMMSZ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5056 ChEMBL ID: CHEMBL2019155
Plant-Ingredient Association Reference	Database: UNPD [UNPD216081] Database: NPASS [NPC275053]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC254560
Formula: C84H64O18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@H](c1c(O)c2[C@@H](c3cc(O)cc(c3)O)[C@@H]([C@@H]3c2c2c1O[C@@H]([C@H]2c1cc(O)cc(c1[C@@H]3c1ccc(cc1)O)O)c1ccc(cc1)O)c1ccc(cc1)O)[C@@H]1c2cc(O)cc(c2[C@@H]([C@H]2c3c1c(O)cc(c3[C@@H]([C@H]2c1ccc(cc1)O)c1cc(O)cc(c1)O)O)c1ccc(cc1)O)O
Standard InCHI	InChI=1S/C84H64O18/c85-44-13-1-36(2-14-44)62-67(42-25-50(91)29-51(92)26-42)73-60(99)35-61(100)74-71(56-31-54(95)33-58(97)69(56)64(75(62)77(73)74)38-5-17-46(87)18-6-38)66(40-9-21-48(89)22-10-40)81-82(101)79-68(43-27-52(93)30-53(94)28-43)63(37-3-15-45(86)16-4-37)76-65(39-7-19-47(88)20-8-39)70-57(32-55(96)34-59(70)98)72-80(78(76)79)84(81)102-83(72)41-11-23-49(90)24-12-41/h1-35,62-68,71-72,75-76,83,85-101H/t62-,63+,64+,65+,66+,67-,68+,71+,72+,75+,76+,83-/m1/s1
Standard InCHIKey	MUZTXZUKWKVMNR-ZTLMZKSTSA-N
Ingredient External Links	PubChem CID: 16149368
Plant-Ingredient Association Reference	Database: UNPD [UNPD191160]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC224528
Formula: C56H42O12

Common Name	Vaticanol B
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]1[C@@H](c2cc(O)cc3c2[C@@H](c2cc(O)cc(c2)O)[C@@H](O3)c2ccc(cc2)O)c2c3[C@H]1[C@H](c1ccc(cc1)O)c1c(O)cc(cc1[C@@H]1c3c(cc2O)O[C@H]1c1ccc(cc1)O)O
Standard InCHI	InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46-,49-,50-,53+,55+,56+/m1/s1
Standard InCHIKey	VOANMQWFRWOKSM-ATGKYDEGSA-N
Ingredient External Links	PubChem CID: 10010985 ChEMBL ID: CHEMBL2368899
Plant-Ingredient Association Reference	Database: UNPD [UNPD156542] Database: NPASS [NPC224528]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC201170
Formula: C28H22O6

Common Name	n.a.
IUPAC Name	5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Canonical SMILES	Oc1ccc(cc1)/C=C/c1cc(O)cc2c1[C@H](c1cc(O)cc(c1)O)[C@@H](O2)c1ccc(cc1)O
Standard InCHI	InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28-/m0/s1
Standard InCHIKey	FQWLMRXWKZGLFI-PAKBJIOWSA-N
Ingredient External Links	PubChem CID: 5315234 ZINC ID: ZINC000005722186
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Ipomoea digitata	Ipomoea	Convolvulaceae
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Annona cornifolia	Annona	Annonaceae
Maytenus imbricata	Maytenus	Celastraceae
Salvia syriaca	Salvia	Lamiaceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Solanum laxum	Solanum	Solanaceae
Eucalyptus melliodora	Eucalyptus	Myrtaceae
Scutellaria amoena	Scutellaria	Lamiaceae
Senecio toluccanus	Senecio	Asteraceae
Goniothalamus malayanus	Goniothalamus	Annonaceae
Pastinaca sativa	Pastinaca	Apiaceae
Lysimachia mauritiana	Lysimachia	Primulaceae
Swertia franchetiana	Swertia	Gentianaceae
Helipterum roseum	Helipterum	Asteraceae
Hedysarum connatum	Hedysarum	Fabaceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Zanthoxylum tetraspermum	Zanthoxylum	Rutaceae
Artemisia assoana	Artemisia	Asteraceae
Dumortiera hirsuta	Dumortiera	Dumortieraceae
Lepisorus ussuriensis	Lepisorus	Polypodiaceae
Alstonia spathulata	Alstonia	Apocynaceae
Phoebe pittieri	Phoebe	Lauraceae
Hypericum laricifolium	Hypericum	Hypericaceae
Vitis vinifera	Vitis	Vitaceae
Adiantum lunulatum	Adiantum	Pteridaceae
Peltostigma guatemalense	Peltostigma	Rutaceae
Acacia adunca	Acacia	Fabaceae
Viguiera incana	Viguiera	Asteraceae
Astragalus sempervirens	Astragalus	Fabaceae
Marrubium anisodon	Marrubium	Lamiaceae
Piper caninum	Piper	Piperaceae
Wikstroemia retusa	Wikstroemia	Thymelaeaceae
Naucleopsis ternstroemiiflora	Naucleopsis	Moraceae
Rumex maritimus	Rumex	Polygonaceae
Vatica rassak	Vatica	Dipterocarpaceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Calostephane divaricata	Calostephane	Asteraceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Vaccinium oxycoccos	Vaccinium	Ericaceae
Polyalthia evecta	Polyalthia	Annonaceae
Caragana aurantiaca	Caragana	Fabaceae
Premna odorata	Premna	Lamiaceae
Cotyledon secunda	Cotyledon	Crassulaceae
Cotula filicula	Cotula	Asteraceae
Rauvolfia vomitoria	Rauvolfia	Apocynaceae
Gnetum latifolium	Gnetum	Gnetaceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC197561
Formula: C62H52O17

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3O[C@@H]([C@H](c3c(c2)[C@H]2[C@H](c3ccc(cc3)O)[C@@H]3c4c2c(O)cc2c4[C@H](c4c([C@@H]3c3ccc(cc3)O)c(O)cc(c4)O)[C@H](O2)c2ccc(cc2)O)c2cc(O)cc(c2)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C62H52O17/c63-25-45-57(73)58(74)59(75)62(79-45)76-38-22-40(50-43(23-38)77-60(28-5-13-33(66)14-6-28)48(50)30-17-35(68)19-36(69)18-30)51-47(27-3-11-32(65)12-4-27)55-46(26-1-9-31(64)10-2-26)49-39(20-37(70)21-41(49)71)52-54-44(24-42(72)53(51)56(54)55)78-61(52)29-7-15-34(67)16-8-29/h1-24,45-48,51-52,55,57-75H,25H2/t45-,46+,47+,48+,51+,52+,55-,57-,58+,59-,60-,61-,62-/m1/s1
Standard InCHIKey	WHWCWNQIRQFICJ-OWYPFLQCSA-N
Ingredient External Links	PubChem CID: 21606280
Plant-Ingredient Association Reference	Database: UNPD [UNPD11206]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC161571
Formula: C14H12O3

Common Name	Resveratrol
IUPAC Name	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Canonical SMILES	Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
Standard InCHI	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
Standard InCHIKey	LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Ingredient External Links	PubChem CID: 445154 ChEMBL ID: CHEMBL165
Plant-Ingredient Association Reference	Database: UNPD [UNPD162428] Database: NPASS [NPC161571]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Ipomoea digitata	Ipomoea	Convolvulaceae
Artocarpus dadah	Artocarpus	Moraceae
Flacourtia jangomas	Flacourtia	Salicaceae
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Annona cornifolia	Annona	Annonaceae
Maytenus imbricata	Maytenus	Celastraceae
Polygonum cuspidatum	Polygonum	Polygonaceae
Salvia syriaca	Salvia	Lamiaceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Onobrychis arenaria	Onobrychis	Fabaceae
Solanum laxum	Solanum	Solanaceae
Eria mollis	Eria	Orchidaceae
Ageratina adenophora	Ageratina	Asteraceae
Eleutherococcus sessiliflorus	Eleutherococcus	Araliaceae
Dysoxylum cumingianum	Dysoxylum	Meliaceae
Psychotria stachyoides	Psychotria	Rubiaceae
Dodonaea viscosa	Dodonaea	Sapindaceae
Eucalyptus melliodora	Eucalyptus	Myrtaceae
Dracaena cochinchinensis	Dracaena	Asparagaceae
Scutellaria amoena	Scutellaria	Lamiaceae
Teucrium yemense	Teucrium	Lamiaceae
Senecio toluccanus	Senecio	Asteraceae
Goniothalamus malayanus	Goniothalamus	Annonaceae
Neobalanocarpus heimii	Neobalanocarpus	Dipterocarpaceae
Pastinaca sativa	Pastinaca	Apiaceae
Aconitum tasiromontanum	Aconitum	Ranunculaceae
Humulus lupulus	Humulus	Cannabaceae
Dendriopoterium menendezii	Dendriopoterium	Rosaceae
Adansonia grandidieri	Adansonia	Malvaceae
Physalis alkekengi	Physalis	Solanaceae
Lysimachia mauritiana	Lysimachia	Primulaceae
Aphyllocladus denticulatus	Aphyllocladus	Asteraceae
Bassia muricata	Bassia	Chenopodiaceae
Swertia franchetiana	Swertia	Gentianaceae
Senecio subdentatus	Senecio	Asteraceae
Hippophae rhamnoides	Hippophae	Elaeagnaceae
Helipterum roseum	Helipterum	Asteraceae
Aconitum seravschanicum	Aconitum	Ranunculaceae
Hedysarum connatum	Hedysarum	Fabaceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Zanthoxylum tetraspermum	Zanthoxylum	Rutaceae
Artemisia assoana	Artemisia	Asteraceae
Dumortiera hirsuta	Dumortiera	Dumortieraceae
Lepisorus ussuriensis	Lepisorus	Polypodiaceae
Trifolium dubium	Trifolium	Fabaceae
Alstonia spathulata	Alstonia	Apocynaceae
Phoebe pittieri	Phoebe	Lauraceae
Hypericum laricifolium	Hypericum	Hypericaceae
Vitis vinifera	Vitis	Vitaceae
Hylotelephium telephium	Hylotelephium	Crassulaceae
Adiantum lunulatum	Adiantum	Pteridaceae
Peltostigma guatemalense	Peltostigma	Rutaceae
Acacia adunca	Acacia	Fabaceae
Viguiera incana	Viguiera	Asteraceae
Astragalus sempervirens	Astragalus	Fabaceae
Marrubium anisodon	Marrubium	Lamiaceae
Piper caninum	Piper	Piperaceae
Wikstroemia retusa	Wikstroemia	Thymelaeaceae
Naucleopsis ternstroemiiflora	Naucleopsis	Moraceae
Andrographis lineata	Andrographis	Acanthaceae
Vigna umbeuata	Vigna	Fabaceae
Rheum wittrocki	Rheum	Polygonaceae
Carica pennata	Carica	Caricaceae
Baccharis patagonica	Baccharis	Asteraceae
Cassia dentata	Cassia	Fabaceae
Hoya australis	Hoya	Apocynaceae
Astragalus cibarius	Astragalus	Fabaceae
Rheum officinale	Rheum	Polygonaceae
Veratrum dahuricum	Veratrum	Melanthiaceae
Vernonia menthaefolia	Vernonia	Asteraceae
Capsicum tetragonum	Capsicum	Solanaceae
Aconitum heterophylloides	Aconitum	Ranunculaceae
Justicia secunda	Justicia	Acanthaceae
Gymnosporia diversifolia	Gymnosporia	Celastraceae
Lycoris traubii	Lycoris	Amaryllidaceae
Rumex maritimus	Rumex	Polygonaceae
Rheum coreanum	Rheum	Polygonaceae
Arachis hypogaea	Arachis	Fabaceae
Smilax china	Smilax	Smilacaceae
Vatica rassak	Vatica	Dipterocarpaceae
Aster sedifolius	Aster	Asteraceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Rubia cordifolia	Rubia	Rubiaceae
Lygodium flexuosum	Lygodium	Lygodiaceae
Rheum palmatum	Rheum	Polygonaceae
Morus alba	Morus	Moraceae
Oroxylum indicum	Oroxylum	Bignoniaceae
Strychnos staudtii	Strychnos	Loganiaceae
Dictyoloma incanescens	Dictyoloma	Rutaceae
Saccharum spontaneum	Saccharum	Poaceae
Crotalaria anagyroides	Crotalaria	Fabaceae
Caragana sinica	Caragana	Fabaceae
Dasymaschalon sootepense	Dasymaschalon	Annonaceae
Croton poilanei	Croton	Euphorbiaceae
Tsuga mertensiana	Tsuga	Pinaceae
Leptactina senegambica	Leptactina	Rubiaceae
Panax ginseng	Panax	Araliaceae
Guatteria melosma	Guatteria	Annonaceae
Securinega melanthesoides	Securinega	Phyllanthaceae
Euonymus sachalinensis	Euonymus	Celastraceae
Felicia erigeroides	Felicia	Asteraceae
Lupinus paniculatus	Lupinus	Fabaceae
Fallopia multiflora	Fallopia	Polygonaceae
Boehmeria nivea	Boehmeria	Urticaceae
Vigna angularis	Vigna	Fabaceae
Ampelopsis brevipedunculata	Ampelopsis	Vitaceae
Lavandula vera	Lavandula	Lamiaceae
stuhlmannia moavi	Stuhlmannia	Fabaceae
Vigna umbellata	Vigna	Fabaceae
Calostephane divaricata	Calostephane	Asteraceae
Artemisia chinensis	Artemisia	Asteraceae
Veratrum grandiflorum	Veratrum	Melanthiaceae
Daemonorops draco	Daemonorops	Arecaceae
Fritillaria persica	Fritillaria	Liliaceae
Thalictrum glaucum	Thalictrum	Ranunculaceae
Dryopteris crassirhizoma	Dryopteris	Dryopteridaceae
Broussonetia papyrifera	Broussonetia	Moraceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Vaccinium oxycoccos	Vaccinium	Ericaceae
Trinia scabra	Trinia	Apiaceae
Polyalthia evecta	Polyalthia	Annonaceae
Caragana aurantiaca	Caragana	Fabaceae
Smilax glabra	Smilax	Smilacaceae
Iris domestica	Iris	Iridaceae
Premna odorata	Premna	Lamiaceae
Rheum tanguticum	Rheum	Polygonaceae
Coprosma lucida	Coprosma	Rubiaceae
Canthium berberidifolium	Canthium	Rubiaceae
Enceliopsis argophylla	Enceliopsis	Asteraceae
Cotyledon secunda	Cotyledon	Crassulaceae
Rheum undulatum	Rheum	Polygonaceae
Tanacetum parthenium	Tanacetum	Asteraceae
Phalaenopsis cornu-cervi	Phalaenopsis	Orchidaceae
Cotula filicula	Cotula	Asteraceae
Rauvolfia vomitoria	Rauvolfia	Apocynaceae
Gnetum latifolium	Gnetum	Gnetaceae
Miliusa velutina	Miliusa	Annonaceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae
Garcinia quaesita	Garcinia	Clusiaceae

Ingredient ID: NPC15920
Formula: C62H52O17

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc(c2)[C@@H]2[C@H](Oc3c2c(cc(c3)O)[C@@H]2c3c(O)cc4c5c3[C@@H]([C@H]2c2ccc(cc2)O)[C@@H](c2ccc(cc2)O)c2c([C@@H]5[C@H](O4)c3ccc(cc3)O)cc(cc2O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C62H52O17/c63-25-45-57(73)58(74)59(75)62(79-45)76-38-18-30(17-35(68)19-38)48-50-40(21-37(70)23-43(50)77-60(48)28-5-13-33(66)14-6-28)51-47(27-3-11-32(65)12-4-27)55-46(26-1-9-31(64)10-2-26)49-39(20-36(69)22-41(49)71)52-54-44(24-42(72)53(51)56(54)55)78-61(52)29-7-15-34(67)16-8-29/h1-24,45-48,51-52,55,57-75H,25H2/t45-,46+,47+,48+,51+,52+,55-,57-,58+,59-,60-,61-,62-/m1/s1
Standard InCHIKey	LBHGUSIUQVPOKJ-OWYPFLQCSA-N
Ingredient External Links	PubChem CID: 21606279
Plant-Ingredient Association Reference	Database: UNPD [UNPD135480]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC15109
Formula: C28H22O6

Common Name	n.a.
IUPAC Name	5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Canonical SMILES	Oc1ccc(cc1)/C=C/c1cc(O)cc2c1[C@@H](c1cc(O)cc(c1)O)[C@@H](O2)c1ccc(cc1)O
Standard InCHI	InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1
Standard InCHIKey	FQWLMRXWKZGLFI-YVYUXZJTSA-N
Ingredient External Links	PubChem CID: 5281728 ZINC ID: ZINC000004098643
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC15109]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Ipomoea digitata	Ipomoea	Convolvulaceae
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Annona cornifolia	Annona	Annonaceae
Maytenus imbricata	Maytenus	Celastraceae
Salvia syriaca	Salvia	Lamiaceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Solanum laxum	Solanum	Solanaceae
Eucalyptus melliodora	Eucalyptus	Myrtaceae
Scutellaria amoena	Scutellaria	Lamiaceae
Senecio toluccanus	Senecio	Asteraceae
Goniothalamus malayanus	Goniothalamus	Annonaceae
Pastinaca sativa	Pastinaca	Apiaceae
Lysimachia mauritiana	Lysimachia	Primulaceae
Swertia franchetiana	Swertia	Gentianaceae
Helipterum roseum	Helipterum	Asteraceae
Hedysarum connatum	Hedysarum	Fabaceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Zanthoxylum tetraspermum	Zanthoxylum	Rutaceae
Artemisia assoana	Artemisia	Asteraceae
Dumortiera hirsuta	Dumortiera	Dumortieraceae
Lepisorus ussuriensis	Lepisorus	Polypodiaceae
Alstonia spathulata	Alstonia	Apocynaceae
Phoebe pittieri	Phoebe	Lauraceae
Hypericum laricifolium	Hypericum	Hypericaceae
Vitis vinifera	Vitis	Vitaceae
Adiantum lunulatum	Adiantum	Pteridaceae
Peltostigma guatemalense	Peltostigma	Rutaceae
Acacia adunca	Acacia	Fabaceae
Viguiera incana	Viguiera	Asteraceae
Astragalus sempervirens	Astragalus	Fabaceae
Marrubium anisodon	Marrubium	Lamiaceae
Piper caninum	Piper	Piperaceae
Wikstroemia retusa	Wikstroemia	Thymelaeaceae
Naucleopsis ternstroemiiflora	Naucleopsis	Moraceae
Rumex maritimus	Rumex	Polygonaceae
Vatica rassak	Vatica	Dipterocarpaceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Calostephane divaricata	Calostephane	Asteraceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Vaccinium oxycoccos	Vaccinium	Ericaceae
Polyalthia evecta	Polyalthia	Annonaceae
Caragana aurantiaca	Caragana	Fabaceae
Premna odorata	Premna	Lamiaceae
Cotyledon secunda	Cotyledon	Crassulaceae
Aconitum burnatii	Aconitum	Ranunculaceae
Cotula filicula	Cotula	Asteraceae
Rauvolfia vomitoria	Rauvolfia	Apocynaceae
Gnetum latifolium	Gnetum	Gnetaceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC148516
Formula: C42H32O9

Common Name	Vaticanol A
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]1c2c(O)cc(cc2[C@@H]2c3c4[C@H]1[C@H](c1ccc(cc1)O)[C@H](c4c(cc3O[C@H]2c1ccc(cc1)O)O)c1cc(O)cc(c1)O)O
Standard InCHI	InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40+,42+/m1/s1
Standard InCHIKey	MBGBQHRAJPLAPN-WTEBWGKASA-N
Ingredient External Links	PubChem CID: 44566412 ChEMBL ID: CHEMBL508745
Plant-Ingredient Association Reference	Database: UNPD [UNPD152322] Database: NPASS [NPC148516]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC147063
Formula: C84H64O18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]([C@@H]1c2cc(O)cc(c2[C@@H]([C@H]2c3c1c(O)cc(c3[C@@H]([C@H]2c1ccc(cc1)O)c1cc(O)cc(c1)O)O)c1ccc(cc1)O)O)c1c(O)cc(cc1O)[C@H]1[C@H](c2ccc(cc2)O)[C@@H]2c3c1c(O)cc1c3[C@H](c3c([C@@H]2c2ccc(cc2)O)c(O)cc(c3)O)[C@H](O1)c1ccc(cc1)O
Standard InCHI	InChI=1S/C84H64O18/c85-44-13-1-36(2-14-44)64-69(42-25-50(91)29-51(92)26-42)76-60(99)34-61(100)78-73(54-30-52(93)32-58(97)71(54)66(80(64)82(76)78)38-5-17-46(87)18-6-38)68(40-9-21-48(89)22-10-40)75-56(95)27-43(28-57(75)96)70-65(37-3-15-45(86)16-4-37)81-67(39-7-19-47(88)20-8-39)72-55(31-53(94)33-59(72)98)74-79-63(35-62(101)77(70)83(79)81)102-84(74)41-11-23-49(90)24-12-41/h1-35,64-70,73-74,80-81,84-101H/t64-,65+,66+,67+,68+,69-,70+,73+,74+,80+,81+,84-/m1/s1
Standard InCHIKey	BREASIWVQKRBKT-CRNPMPHOSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD115366]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC144785
Formula: C56H42O11

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]1[C@H](c2cc(O)cc3c2[C@@H](c2cccc(c2)O)[C@@H](O3)c2ccc(cc2)O)c2c3[C@@H]1[C@H](c1ccc(cc1)O)c1c(O)cc(cc1[C@@H]1c3c(cc2O)O[C@@H]1c1ccc(cc1)O)O
Standard InCHI	InChI=1S/C56H42O11/c57-31-12-4-26(5-13-31)44-47-38(21-36(62)23-40(47)64)50-52-43(67-56(50)29-10-18-34(60)19-11-29)25-41(65)51-49(45(53(44)54(51)52)27-6-14-32(58)15-7-27)39-22-37(63)24-42-48(39)46(30-2-1-3-35(61)20-30)55(66-42)28-8-16-33(59)17-9-28/h1-25,44-46,49-50,53,55-65H/t44-,45-,46-,49+,50-,53-,55+,56-/m1/s1
Standard InCHIKey	YKCWNOVTNLSDIR-LEHVMZAASA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD84308]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC143226
Formula: C56H42O12

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@H]1[C@@H]2[C@H](c3ccc(cc3)O)c3c([C@H]1c1c2c2c(cc1O)O[C@@H]([C@@H]2c1cc(O)cc(c1)O)c1ccc(cc1)O)c1c(cc3O)O[C@H]([C@@H]1c1cc(O)cc(c1)O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)51(43)54-48(52)40(66)24-42-50(54)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44+,45-,46-,51+,52-,55+,56-/m1/s1
Standard InCHIKey	DTAYOOZOCCYGJM-AQPLHPJRSA-N
Ingredient External Links	PubChem CID: 101103995
Plant-Ingredient Association Reference	Database: UNPD [UNPD182408]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC142153
Formula: C20H22O8

Common Name	n.a.
IUPAC Name	(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(C=Cc3ccc(cc3)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/t16-,17-,18+,19-,20-/m1/s1
Standard InCHIKey	HSTZMXCBWJGKHG-OUUBHVDSSA-N
Ingredient External Links	PubChem CID: 73642
Plant-Ingredient Association Reference	Database: UNPD [UNPD211822]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Ipomoea digitata	Ipomoea	Convolvulaceae
Flacourtia jangomas	Flacourtia	Salicaceae
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Annona cornifolia	Annona	Annonaceae
Maytenus imbricata	Maytenus	Celastraceae
Polygonum cuspidatum	Polygonum	Polygonaceae
Salvia syriaca	Salvia	Lamiaceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Onobrychis arenaria	Onobrychis	Fabaceae
Solanum laxum	Solanum	Solanaceae
Eria mollis	Eria	Orchidaceae
Dysoxylum cumingianum	Dysoxylum	Meliaceae
Psychotria stachyoides	Psychotria	Rubiaceae
Dodonaea viscosa	Dodonaea	Sapindaceae
Eucalyptus melliodora	Eucalyptus	Myrtaceae
Scutellaria amoena	Scutellaria	Lamiaceae
Teucrium yemense	Teucrium	Lamiaceae
Senecio toluccanus	Senecio	Asteraceae
Goniothalamus malayanus	Goniothalamus	Annonaceae
Neobalanocarpus heimii	Neobalanocarpus	Dipterocarpaceae
Pastinaca sativa	Pastinaca	Apiaceae
Aconitum tasiromontanum	Aconitum	Ranunculaceae
Dendriopoterium menendezii	Dendriopoterium	Rosaceae
Adansonia grandidieri	Adansonia	Malvaceae
Physalis alkekengi	Physalis	Solanaceae
Lysimachia mauritiana	Lysimachia	Primulaceae
Aphyllocladus denticulatus	Aphyllocladus	Asteraceae
Bassia muricata	Bassia	Chenopodiaceae
Swertia franchetiana	Swertia	Gentianaceae
Senecio subdentatus	Senecio	Asteraceae
Helipterum roseum	Helipterum	Asteraceae
Aconitum seravschanicum	Aconitum	Ranunculaceae
Hedysarum connatum	Hedysarum	Fabaceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Zanthoxylum tetraspermum	Zanthoxylum	Rutaceae
Artemisia assoana	Artemisia	Asteraceae
Dumortiera hirsuta	Dumortiera	Dumortieraceae
Lepisorus ussuriensis	Lepisorus	Polypodiaceae
Alstonia spathulata	Alstonia	Apocynaceae
Phoebe pittieri	Phoebe	Lauraceae
Hypericum laricifolium	Hypericum	Hypericaceae
Vitis vinifera	Vitis	Vitaceae
Adiantum lunulatum	Adiantum	Pteridaceae
Peltostigma guatemalense	Peltostigma	Rutaceae
Acacia adunca	Acacia	Fabaceae
Viguiera incana	Viguiera	Asteraceae
Astragalus sempervirens	Astragalus	Fabaceae
Marrubium anisodon	Marrubium	Lamiaceae
Piper caninum	Piper	Piperaceae
Wikstroemia retusa	Wikstroemia	Thymelaeaceae
Naucleopsis ternstroemiiflora	Naucleopsis	Moraceae
Justicia secunda	Justicia	Acanthaceae
Rumex maritimus	Rumex	Polygonaceae
Vatica rassak	Vatica	Dipterocarpaceae
Aster sedifolius	Aster	Asteraceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Lavandula vera	Lavandula	Lamiaceae
Calostephane divaricata	Calostephane	Asteraceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Vaccinium oxycoccos	Vaccinium	Ericaceae
Polyalthia evecta	Polyalthia	Annonaceae
Caragana aurantiaca	Caragana	Fabaceae
Premna odorata	Premna	Lamiaceae
Enceliopsis argophylla	Enceliopsis	Asteraceae
Cotyledon secunda	Cotyledon	Crassulaceae
Cotula filicula	Cotula	Asteraceae
Rauvolfia vomitoria	Rauvolfia	Apocynaceae
Gnetum latifolium	Gnetum	Gnetaceae
Miliusa velutina	Miliusa	Annonaceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC141647
Formula: C42H32O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@H]1c2c(O)cc(cc2[C@@H]2c3c4[C@H]1[C@@H](c1ccc(cc1)O)[C@@H](c4c(cc3O[C@H]2c1ccc(cc1)O)O)c1cc(O)cc(c1)O)O
Standard InCHI	InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37+,40-,42-/m0/s1
Standard InCHIKey	MBGBQHRAJPLAPN-YLVWQWGVSA-N
Ingredient External Links	PubChem CID: 101103994
Plant-Ingredient Association Reference	Database: UNPD [UNPD153518]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC13900
Formula: C84H64O18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]([C@@H]1c2c(O)cc(cc2[C@H]([C@H]2c3c1c(O)cc(c3[C@H]([C@H]2c1ccc(cc1)O)c1cc(O)cc(c1)O)O)c1ccc(cc1)O)O)c1c(O)cc(cc1O)[C@@H]1[C@@H](c2ccc(cc2)O)[C@@H]2c3c1c(O)cc1c3[C@@H](c3c([C@H]2c2ccc(cc2)O)c(O)cc(c3)O)[C@H](O1)c1ccc(cc1)O
Standard InCHI	InChI=1S/C84H64O18/c85-44-13-1-36(2-14-44)64-54-30-52(93)33-59(98)72(54)81(77-61(100)34-60(99)75-69(42-25-50(91)29-51(92)26-42)65(79(64)82(75)77)37-3-15-45(86)16-4-37)68(40-9-21-48(89)22-10-40)74-56(95)27-43(28-57(74)96)70-66(38-5-17-46(87)18-6-38)80-67(39-7-19-47(88)20-8-39)71-55(31-53(94)32-58(71)97)73-78-63(35-62(101)76(70)83(78)80)102-84(73)41-11-23-49(90)24-12-41/h1-35,64-70,73,79-81,84-101H/t64-,65-,66-,67-,68-,69+,70-,73-,79-,80+,81-,84-/m1/s1
Standard InCHIKey	MLJLWGSFBAPOSJ-MPTIFJALSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD5797]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC129391
Formula: C42H32O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]1c2cc(O)ccc2[C@H]2c3c([C@@H]1c1c(O)cc(c4c1[C@@H]2[C@H]([C@@H]4c1cc(O)cc(c1)O)c1ccc(cc1)O)O)cc(O)cc3O
Standard InCHI	InChI=1S/C42H32O9/c43-21-5-1-18(2-6-21)33-28-14-23(45)9-10-27(28)37-36-29(15-26(48)16-30(36)49)38(33)40-32(51)17-31(50)39-35(20-11-24(46)13-25(47)12-20)34(41(37)42(39)40)19-3-7-22(44)8-4-19/h1-17,33-35,37-38,41,43-51H/t33-,34+,35+,37+,38+,41-/m1/s1
Standard InCHIKey	FWPQMKZSFDFHKZ-CVVULUIWSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD194356]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC106083
Formula: C98H74O21

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@@H]([C@@H]1c2cc(O)cc(c2[C@@H]([C@H]2c3c1c(O)cc(c3[C@@H]([C@H]2c1ccc(cc1)O)c1cc(O)cc(c1)O)O)c1ccc(cc1)O)O)c1c2O[C@@H]([C@@H]3c2c2c(c1O)[C@H]([C@@H]([C@H]2[C@H](c1c3cc(O)cc1O)c1ccc(cc1)O)c1ccc(cc1)O)c1cc(O)cc2c1[C@@H](c1cc(O)cc(c1)O)[C@@H](O2)c1ccc(cc1)O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C98H74O21/c99-51-15-1-42(2-16-51)73-78(49-29-58(106)33-59(107)30-49)86-70(115)41-71(116)87-83(65-35-62(110)38-68(113)80(65)74(88(73)90(86)87)43-3-17-52(100)18-4-43)77(46-9-23-55(103)24-10-46)94-95(117)92-84(67-37-64(112)40-72-82(67)79(50-31-60(108)34-61(109)32-50)96(118-72)47-11-25-56(104)26-12-47)76(45-7-21-54(102)22-8-45)89-75(44-5-19-53(101)20-6-44)81-66(36-63(111)39-69(81)114)85-93(91(89)92)98(94)119-97(85)48-13-27-57(105)28-14-48/h1-41,73-79,83-85,88-89,96-97,99-117H/t73-,74+,75+,76+,77+,78-,79-,83+,84+,85+,88+,89-,96+,97-/m1/s1
Standard InCHIKey	MPYIPPPGBBPHFM-IZBFEWCLSA-N
Ingredient External Links	PubChem CID: 16151489
Plant-Ingredient Association Reference	Database: UNPD [UNPD182462]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC103795
Formula: C62H52O16

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]1O[C@@H](c2cc(O)cc(c2)[C@H]2[C@H](Oc3c2c(cc(c3)O)[C@@H]2[C@H](c3ccc(cc3)O)[C@@H]3c4c2c(O)cc2c4[C@@H](c4c([C@H]3c3ccc(cc3)O)c(O)cc(c4)O)[C@@H](O2)c2ccc(cc2)O)c2ccc(cc2)O)[C@H]([C@@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C62H52O16/c63-25-45-57(73)58(74)59(75)62(78-45)31-17-30(18-36(68)19-31)48-50-40(21-38(70)23-43(50)76-60(48)28-5-13-34(66)14-6-28)51-47(27-3-11-33(65)12-4-27)55-46(26-1-9-32(64)10-2-26)49-39(20-37(69)22-41(49)71)52-54-44(24-42(72)53(51)56(54)55)77-61(52)29-7-15-35(67)16-8-29/h1-24,45-48,51-52,55,57-75H,25H2/t45-,46+,47-,48+,51+,52+,55+,57+,58+,59-,60+,61-,62-/m0/s1
Standard InCHIKey	MPIYIDQWIUXIQD-AHLDTSHMSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD28345]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC103608
Formula: C42H32O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)[C@H]1c2cc(O)ccc2[C@@H]2c3c([C@H]1c1c(O)cc(c4c1[C@H]2[C@@H]([C@H]4c1cc(O)cc(c1)O)c1ccc(cc1)O)O)cc(O)cc3O
Standard InCHI	InChI=1S/C42H32O9/c43-21-5-1-18(2-6-21)33-28-14-23(45)9-10-27(28)37-36-29(15-26(48)16-30(36)49)38(33)40-32(51)17-31(50)39-35(20-11-24(46)13-25(47)12-20)34(41(37)42(39)40)19-3-7-22(44)8-4-19/h1-17,33-35,37-38,41,43-51H/t33-,34+,35+,37+,38+,41-/m0/s1
Standard InCHIKey	FWPQMKZSFDFHKZ-IKPIUSLMSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD2217]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Heliotropium hirsutum	Heliotropium	Heliotropiaceae
Maytenus imbricata	Maytenus	Celastraceae
Curcuma xanthorrhiza	Curcuma	Zingiberaceae
Senecio toluccanus	Senecio	Asteraceae
Sideritis chamaedryfolia	Sideritis	Lamiaceae
Piper caninum	Piper	Piperaceae
Vatica rassak	Vatica	Dipterocarpaceae
Eupatorium glutinosum	Eupatorium	Asteraceae
Polyalthia evecta	Polyalthia	Annonaceae
Cotula filicula	Cotula	Asteraceae
Leucosceptrum canum	Leucosceptrum	Lamiaceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC103608	C42H32O9		680.2046326	-4.4105	5.09	5.977	0	9	182.07	3	9	51	2
NPC103795	C62H52O16		1052.325536	-7.314	6.52	7.006	5	13	290.68	8	13	78	2
NPC106083	C98H74O21		1586.472259	-9.9491	9.93	13.884	0	19	402.83	12	20	119	3
NPC129391	C42H32O9		680.2046326	-4.4105	5.09	5.977	0	9	182.07	3	9	51	2
NPC13900	C84H64O18		1360.409265	-8.6931	8.72	12.167	0	17	353.14	10	17	102	2
NPC141647	C42H32O9		680.2046326	-4.2826	5.09	6.19	0	8	171.07	4	9	51	2
NPC142153	C20H22O8	(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	390.1314677	-2.66	2.78	2.328	5	6	139.84	5	3	28	1
NPC143226	C56H42O12		906.2676268	-5.5386	6.3	8.118	0	10	220.76	6	12	68	2
NPC144785	C56H42O11		890.2727122	-5.0783	6.41	9.292	0	9	200.53	6	12	67	2
NPC147063	C84H64O18		1360.409265	-8.6931	8.72	11.956	0	17	353.14	10	17	102	2
NPC148516	C42H32O9	Vaticanol A	680.2	-4.2826	5.09	6.19	0	8	171.07	12	9	51	2
NPC15109	C28H22O6		454.1416384	-2.1691	3.88	5.364	0	5	110.38	9	5	34	1
NPC15920	C62H52O17		1068.32045	-7.2855	6.41	7.01	5	13	299.91	9	13	79	2
NPC161571	C14H12O3	Resveratrol	228.08	-0.9131	2.67	3.436	0	3	60.69	5	2	17	0
NPC197561	C62H52O17		1068.32045	-7.2855	6.41	7.01	5	13	299.91	9	13	79	2
NPC201170	C28H22O6	5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol	454.1416384	-2.1691	3.88	5.364	0	5	110.38	4	5	34	1
NPC224528	C56H42O12	Vaticanol B	906.27	-5.5386	6.3	8.118	0	10	220.76	16	12	68	2
NPC254560	C84H64O18		1360.409265	-8.6931	8.72	11.956	0	17	353.14	10	17	102	2
NPC275053	C14H12O3	5-[2-(4-Hydroxyphenyl)Ethenyl]Benzene-1,3-Diol	228.08	-0.9131	2.67	3.436	0	3	60.69	5	2	17	0
NPC287881	C56H42O12		906.2676268	-5.5386	6.3	8.118	0	10	220.76	6	12	68	2
NPC289064	C56H42O12		906.2676268	-5.5386	6.3	8.118	0	10	220.76	6	12	68	2
NPC302456	C84H64O18		1360.409265	-8.6931	8.72	11.956	0	17	353.14	10	17	102	2
NPC303422	C20H22O8	Piceid	390.13	-2.66	2.78	2.328	5	6	139.84	11	3	28	1
NPC3355	C48H42O14		842.257456	-6.0295	5.2	5.082	5	11	250.22	7	10	62	2
NPC34833	C48H42O14		842.257456	-6.1574	5.2	4.869	5	12	261.22	6	10	62	1
NPC56988	C84H64O18		1360.409265	-8.6931	8.72	11.956	0	17	353.14	10	17	102	2
NPC67812	C42H32O9		680.2046326	-4.2826	5.09	6.19	0	8	171.07	4	9	51	2
NPC96015	C48H42O14		842.257456	-6.0295	5.2	5.082	5	11	250.22	7	10	62	2

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