CMAUP Plant Ingredients

27 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.

9 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC71074
Formula: C30H48O4

Common Name	Corosolic Acid
IUPAC Name	(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Canonical SMILES	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@@H](O)[C@@H](C1(C)C)O)C(=O)O
Standard InCHI	InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
Standard InCHIKey	HFGSQOYIOKBQOW-ZSDYHTTISA-N
Ingredient External Links	PubChem CID: 6918774 ZINC ID: ZINC000008829484 ChEMBL ID: CHEMBL391533
Plant-Ingredient Association Reference	Database: NPASS [NPC71074]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glechoma longituba	Glechoma	Lamiaceae
Prunus cerasoides	Prunus	Rosaceae
Artemisia hanseniana	Artemisia	Asteraceae
Centella asiatica	Centella	Apiaceae
Rubus alceifolius	Rubus	Rosaceae
Styrax benzoin	Styrax	Styracaceae
Tulipa sylvestris	Tulipa	Liliaceae
Kopsia grandifolia	Kopsia	Apocynaceae
Ledebouria socialis	Ledebouria	Hyacinthaceae
Acer pictum subsp. okamotoanum	Acer	Sapindaceae
Amsinckia menziesii	Amsinckia	Boraginaceae
Lycopus europaeus	Lycopus	Lamiaceae
Cneorum pulverulentum	Cneorum	Rutaceae
Dipodium punctatum	Dipodium	Orchidaceae
Dipterocarpus dyeri	Dipterocarpus	Dipterocarpaceae
Cornus officinalis	Cornus	Cornaceae
Glycine falcata	Glycine	Fabaceae
Styrax tonkinensis	Styrax	Styracaceae
Ipomoea cairica	Ipomoea	Convolvulaceae
Senecio fuertesii	Senecio	Asteraceae
Pyrola japonica	Pyrola	Ericaceae
Psittacanthus cucullaris	Psittacanthus	Loranthaceae
Ceanothus velutinus	Ceanothus	Rhamnaceae
Polygala amarella	Polygala	Polygalaceae
Aspilia hispida	Aspilia	Asteraceae
Garcinia scortechinii	Garcinia	Clusiaceae
Apollonias barbujana	Apollonias	Lauraceae
Clutia richardiana	Clutia	Peraceae
Chlorophytum borivilianum	Chlorophytum	Asparagaceae
Campsis radicans	Campsis	Bignoniaceae
Melaleuca uncinata	Melaleuca	Myrtaceae
Salvia palaestina	Salvia	Lamiaceae
Hakea saligna	Hakea	Proteaceae
Ilex pubescens	Ilex	Aquifoliaceae
Aquilaria sinensis	Aquilaria	Thymelaeaceae
Vitex negundo	Vitex	Lamiaceae
Senecio nemorensis	Senecio	Asteraceae
Salvia trijuga	Salvia	Lamiaceae
Cissus quinquefolia	Cissus	Vitaceae
Boswellia carterii	Boswellia	Burseraceae
Dracocephalum kotschyi	Dracocephalum	Lamiaceae
Isodon japonica var. glaucocalyx	Isodon	Lamiaceae
Diospyros verrucosa	Diospyros	Ebenaceae
Isodon lophanthoides	Isodon	Lamiaceae
Verbesina virgata	Verbesina	Asteraceae
Dalea versicolor	Dalea	Fabaceae
Alstonia yunnanensis	Alstonia	Apocynaceae
Sideritis cystosiphon	Sideritis	Lamiaceae
Avrainvillea nigricans	Avrainvillea	Udoteaceae
Fragaria vesca	Fragaria	Rosaceae
Agrimonia pilosa	Agrimonia	Rosaceae
Geranium nepalense	Geranium	Geraniaceae
Mosla chinensis	Mosla	Lamiaceae
Isodon adenolomus	Isodon	Lamiaceae
Rhododendron ferrugineum	Rhododendron	Ericaceae
Stachys tuberifera	Stachys	Lamiaceae
Tylophora atrofolliculata	Tylophora	Apocynaceae
Ligularia dentata	Ligularia	Asteraceae
Drypetes roxburghii	Drypetes	Putranjivaceae
Achyrocline bogotensis	Achyrocline	Asteraceae
Buddleja variabilis	Buddleja	Scrophulariaceae
Euphorbia franckiana	Euphorbia	Euphorbiaceae
Dasymaschalon blumei	Dasymaschalon	Annonaceae
Chamaemelum fuscatum	Chamaemelum	Asteraceae
Scutellaria albida	Scutellaria	Lamiaceae
Senecio scandens	Senecio	Asteraceae
Rubus idaeus	Rubus	Rosaceae
Uncaria gambier	Uncaria	Rubiaceae
Vallaris solanacea	Vallaris	Apocynaceae
Campsis grandiflora	Campsis	Bignoniaceae
Mentha pulegiformis	Mentha	Lamiaceae
Athanasia crithmifolia	Athanasia	Asteraceae
Lasianthus fordii	Lasianthus	Rubiaceae
Salvia nubicola	Salvia	Lamiaceae
Grindelia nana	Grindelia	Asteraceae
Patrinia scabiosifolia	Patrinia	Caprifoliaceae
Haloxylon salicornicum	Haloxylon	Chenopodiaceae
Leucanthemum maximum	Leucanthemum	Asteraceae
Elsholtzia ciliata	Elsholtzia	Lamiaceae
Vitex trifolia	Vitex	Lamiaceae
Calea megacephala	Calea	Asteraceae
Abies nobilis	Abies	Pinaceae
Persea indica	Persea	Lauraceae
Corydalis cornuta	Corydalis	Papaveraceae
Disepalum plagioneurum	Disepalum	Annonaceae
Perovskia abrotanoides	Salvia	Lamiaceae
Piper aequale	Piper	Piperaceae
Alkanna hirsutissima	Alkanna	Boraginaceae
Pinus picea	Pinus	Pinaceae
Picris radicata	Picris	Asteraceae
Kippistia suaedifolia	Kippistia	Asteraceae
Acrocomia sclerocarpa	Acrocomia	Arecaceae
Picradeniopsis pringlei	Picradeniopsis	Asteraceae
Eremophila serrulata	Eremophila	Scrophulariaceae
Rodgersia podophylla	Rodgersia	Saxifragaceae
Delphinium campylocentrum	Delphinium	Ranunculaceae
Cordyline indivisa	Cordyline	Asparagaceae
Primula hirsuta	Primula	Primulaceae
Jasminum grandiflorum	Jasminum	Oleaceae
Viscum coloratum	Viscum	Viscaceae
Hertia intermedia	Hertia	Asteraceae
Swertia angustifolia	Swertia	Gentianaceae
Pelargonium reniforme	Pelargonium	Geraniaceae
Haplopappus ciliatus	Haplopappus	Asteraceae
Symplocos lancifolia	Symplocos	Symplocaceae
Eriobotrya japonica	Eriobotrya	Rosaceae
Tetraneuris acaulis	Tetraneuris	Asteraceae
Buddleja scordioides	Buddleja	Scrophulariaceae
Glechoma grandis	Glechoma	Lamiaceae
Fagus crenata	Fagus	Fagaceae
Viburnum ayavacense	Viburnum	Adoxaceae
Artemisia umbelliformis	Artemisia	Asteraceae
Casimiroa tetrameria	Casimiroa	Rutaceae
Monochaetum vulcanicum	Monochaetum	Melastomataceae
Vatica cinerea	Vatica	Dipterocarpaceae
Cardamine pinnata	Cardamine	Brassicaceae
Codonocarpus australis	Codonocarpus	Gyrostemonaceae
Schizonepeta multifida	Schizonepeta	Lamiaceae
Acer triflorum	Acer	Sapindaceae
Swertia japonica	Swertia	Gentianaceae
Quercus serrata	Quercus	Fagaceae
Crateva nurvala	Crateva	Capparaceae
Polygala amara	Polygala	Polygalaceae
Stephania sutchuenensis	Stephania	Menispermaceae
Unonopsis glaucopetala	Unonopsis	Annonaceae
Rubus rosa	Rubus	Rosaceae
Pleogyne cunninghamii	Pleogyne	Menispermaceae
Pyrola decorata	Pyrola	Ericaceae
Pleogyne cunninghami	Pleogyne	Menispermaceae
Euonymus nanoides	Euonymus	Celastraceae
Cerbera dilatata	Cerbera	Apocynaceae
Achillea clypeolata	Achillea	Asteraceae
Bridelia ferruginea	Bridelia	Phyllanthaceae
Berberis julianae	Berberis	Berberidaceae
Zieria smithii	Zieria	Rutaceae
Bystropogon origanifolius	Bystropogon	Lamiaceae
Rhododendron brachycarpum	Rhododendron	Ericaceae
Cynanchum auriculatum	Cynanchum	Apocynaceae
Helichrysum nitens	Helichrysum	Asteraceae
Aconitum leucostomum	Aconitum	Ranunculaceae
Euscaphis japonica	Euscaphis	Staphyleaceae
Salix japonica	Salix	Salicaceae
Senecio sinuatus	Senecio	Asteraceae
Aquilegia ecalcarata	Aquilegia	Ranunculaceae
Hedysarum multijugum	Hedysarum	Fabaceae
Drimia sanguinea	Drimia	Hyacinthaceae
Fritillaria thunbergii	Fritillaria	Liliaceae
Alangium ridleyi	Alangium	Cornaceae
Onopordum anatolicum	Onopordum	Asteraceae
Hedysarum denticulatum	Hedysarum	Fabaceae
Persea mexicana	Persea	Lauraceae
Adiantum caudatum	Adiantum	Pteridaceae
Phlomis umbrosa	Phlomis	Lamiaceae
Colchicum speciosum	Colchicum	Colchicaceae
Plectranthus sylvestris	Plectranthus	Lamiaceae
Salvia cana	Salvia	Lamiaceae
Dryopteris crassirhizoma	Dryopteris	Dryopteridaceae
Bryum weigelii	Bryum	Bryaceae
Campsis flos	Campsis	Bignoniaceae
Relbunium atherodes	Relbunium	Rubiaceae
Walsura chrysogyne	Walsura	Meliaceae
Ligularia songarica	Ligularia	Asteraceae
Phegopteris bukoensis	Phegopteris	Thelypteridaceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Agathosma thymifolia	Agathosma	Rutaceae
Jacobaea subalpina	Jacobaea	Asteraceae
Phlomis regelii	Phlomis	Lamiaceae
Juglans sinensis	Juglans	Juglandaceae
Dalea purpurea	Dalea	Fabaceae
Gardenia tubifera	Gardenia	Rubiaceae
Zaluzianskya capensis	Zaluzianskya	Scrophulariaceae
Smilax glabra	Smilax	Smilacaceae
Rosa laevigata	Rosa	Rosaceae
Panax innovans	Panax	Araliaceae
Scapania nemorea	Scapania	Scapaniaceae
Diphasiastrum alpinum	Diphasiastrum	Lycopodiaceae
Bryum rutilans	Bryum	Bryaceae
Blumea mollis	Blumea	Asteraceae
Schisandra chinensis	Schisandra	Schisandraceae
Perilla frutescens	Perilla	Lamiaceae
Plantago cornuti	Plantago	Plantaginaceae
Heliomeris multiflora	Heliomeris	Asteraceae
Tiliacora triandra	Tiliacora	Menispermaceae

Ingredient ID: NPC70622
Formula: C15H10O5

Common Name	Aloe-Emodin
IUPAC Name	1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Canonical SMILES	OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
Standard InCHI	InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
Standard InCHIKey	YDQWDHRMZQUTBA-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10207 ChEMBL ID: CHEMBL40275
Plant-Ingredient Association Reference	Database: NPASS [NPC70622]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leptocereus quadricostatus	Leptocereus	Cactaceae
Magnolia figo	Michelia	Magnoliaceae
Chaiturus marrubiastrum	Chaiturus	Lamiaceae
Rubus alceifolius	Rubus	Rosaceae
Polygonum cuspidatum	Polygonum	Polygonaceae
Aloe vera	Aloe	Xanthorrhoeaceae
Aloe vera l. var. chinensis (haw.) berger	Aloe	Asphodelaceae
Onobrychis arenaria	Onobrychis	Fabaceae
Hemerocallis radix	Hemerocallis	Asphodelaceae
Aizopsis selskiana	Aizopsis	Crassulaceae
Senna occidentalis	Senna	Fabaceae
Siphonostegia chinensis	Siphonostegia	Orobanchaceae
Rheum australe	Rheum	Polygonaceae
Rhamnus davurica	Rhamnus	Rhamnaceae
Rumex patientia	Rumex	Polygonaceae
Pinalia stricta	Pinalia	Orchidaceae
Amphorogyne spicata	Amphorogyne	Amphorogynaceae
Tanacetum coccineum	Tanacetum	Asteraceae
Mentha canadensis	Mentha	Lamiaceae
Mandragora autumnalis	Mandragora	Solanaceae
Aloe ferox	Aloe	Asphodelaceae
Dalbergia lanceolaria subsp. paniculata	Dalbergia	Fabaceae
Carduus tenuiflorus	Carduus	Asteraceae
Verbascum thapsiforme	Verbascum	Scrophulariaceae
Rhododendron dahuricum	Rhododendron	Ericaceae
Salvia greggii	Salvia	Lamiaceae
Benincasa hispida	Benincasa	Cucurbitaceae
Balanophora laxiflora	Balanophora	Balanophoraceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Fridericia triplinervia	Fridericia	Bignoniaceae
Anaphalis lactea	Anaphalis	Asteraceae
Metrodorea nigra	Metrodorea	Rutaceae
Tectona grandis	Tectona	Lamiaceae
Senecio praecox	Senecio	Asteraceae
Garcinia polyantha	Garcinia	Clusiaceae
Anchusa azurea	Anchusa	Boraginaceae
Nepeta granatensis	Nepeta	Lamiaceae
Gleichenia quadripartita	Gleichenia	Gleicheniaceae
Dipsacus azureus	Dipsacus	Caprifoliaceae
Jacquemontia paniculata	Jacquemontia	Convolvulaceae
Caulerpa peltata	Caulerpa	Caulerpaceae
Lespedeza tomentosa	Lespedeza	Fabaceae
Rosa pomifera	Rosa	Rosaceae
Degenia velebitica	Degenia	Brassicaceae
Albizia myriophylla	Albizia	Fabaceae
Erythrophleum ivorense	Erythrophleum	Fabaceae
Delphinium virgatum	Delphinium	Ranunculaceae
Grangea maderaspatana	Grangea	Asteraceae
Rheum officinale	Rheum	Polygonaceae
Tagetes filifolia	Tagetes	Asteraceae
Delphinium nuttallianum	Delphinium	Ranunculaceae
Lupinus corymbosus	Lupinus	Fabaceae
Senecio behnii	Senecio	Asteraceae
Dillenia indica	Dillenia	Dilleniaceae
Photinia serratifolia	Photinia	Rosaceae
Helichrysum chionosphaerum	Helichrysum	Asteraceae
Actinidia chinensis planch	Actinidia	Actinidiaceae
Mentha arvensis	Mentha	Lamiaceae
Rumex dentatus	Rumex	Polygonaceae
Rheum coreanum	Rheum	Polygonaceae
Spatholobus suberectus	Spatholobus	Fabaceae
Petunia integrifolia subsp. inflata	Petunia	Solanaceae
Glycine soja	Glycine	Fabaceae
Dorstenia dinklagei	Dorstenia	Moraceae
Croton zehntneri	Croton	Euphorbiaceae
Quercus rubra	Quercus	Fagaceae
Baccharis potosina	Baccharis	Asteraceae
Maclura tinctoria	Maclura	Moraceae
Stevia berlandieri	Stevia	Asteraceae
Ravenia spectabilis	Ravenia	Rutaceae
Rheum palmatum	Rheum	Polygonaceae
Senna alexandrina	Senna	Fabaceae
Aloe spicata	Aloe	Asphodelaceae
Oroxylum indicum	Oroxylum	Bignoniaceae
Sapium haematospermum	Sapium	Euphorbiaceae
Oplopanax elatus	Oplopanax	Araliaceae
Fallopia multiflora	Fallopia	Polygonaceae
Aloe	Aloe	Asphodelaceae
Cassia acutifolia	Cassia	Fabaceae
Cassia mimosoides	Cassia	Fabaceae
Cassia obtusifolia	Cassia	Fabaceae
Aloe africana	Aloe	Xanthorrhoeaceae
Cassia occidentalis	Cassia	Fabaceae
Cassia angustifolia	Cassia	Fabaceae
Cassia tora	Cassia	Fabaceae
rumex plants	Rumex	Polygonaceae
kniphofia ensifolia	Kniphofia	Asphodelaceae
Frangula purshiana	Frangula	Rhamnaceae
Cranfillia fluviatilis	Cranfillia	Blechnaceae
Etlingera elatior	Elettaria	Zingiberaceae
Rheum tanguticum	Rheum	Polygonaceae
Senna tora	Senna	Fabaceae
Rheum undulatum	Rheum	Polygonaceae
Senna obtusifolia	Senna	Fabaceae

Ingredient ID: NPC3224
Formula: C15H12O4

Common Name	1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione
IUPAC Name	1,8-dihydroxy-3-methyl-4a,9a-dihydroanthracene-9,10-dione
Canonical SMILES	CC1=CC2C(C(=C1)O)C(=O)c1c(C2=O)cccc1O
Standard InCHI	InChI=1S/C15H12O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,9,13,16-17H,1H3
Standard InCHIKey	RJOOIZGQOJJWMS-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 24867638 ChEMBL ID: CHEMBL443640
Plant-Ingredient Association Reference	Database: NPASS [NPC3224]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Polygonum cuspidatum	Polygonum	Polygonaceae
Aloe vera	Aloe	Xanthorrhoeaceae
Senna occidentalis	Senna	Fabaceae
Rheum australe	Rheum	Polygonaceae
Rumex crispus	Rumex	Polygonaceae
Rhamnus davurica	Rhamnus	Rhamnaceae
Rumex patientia	Rumex	Polygonaceae
Achyranthes bidentata	Achyranthes	Amaranthaceae
Hemerocallis fulva	Hemerocallis	Xanthorrhoeaceae
Rheum wittrocki	Rheum	Polygonaceae
Tectona grandis	Tectona	Lamiaceae
Ligusticum sinense	Ligusticum	Apiaceae
Rheum officinale	Rheum	Polygonaceae
Chrysanthemum indicum	Chrysanthemum	Asteraceae
Ventilago leiocarpa	Ventilago	Rhamnaceae
Rumex dentatus	Rumex	Polygonaceae
Rumex japonicus	Rumex	Polygonaceae
Senna siamea	Senna	Fabaceae
Anemarrhena asphodeloides	Anemarrhena	Asparagaceae
Rheum palmatum	Rheum	Polygonaceae
Senna alexandrina	Senna	Fabaceae
Fallopia multiflora	Fallopia	Polygonaceae
Cassia acutifolia	Cassia	Fabaceae
Cassia mimosoides	Cassia	Fabaceae
Cassia obtusifolia	Cassia	Fabaceae
Cassia occidentalis	Cassia	Fabaceae
Cassia angustifolia	Cassia	Fabaceae
Ligusticum chuanxiong	Ligusticum	Apiaceae
Cassia siamea	Cassia	Fabaceae
Cassia tora	Cassia	Fabaceae
Frangula purshiana	Frangula	Rhamnaceae
Rumex nepalensis	Rumex	Polygonaceae
Schefflera venulosa	Schefflera	Araliaceae
Rheum tanguticum	Rheum	Polygonaceae
Senna tora	Senna	Fabaceae
Symplocos chinensis	Symplocos	Symplocaceae
Senna obtusifolia	Senna	Fabaceae

Ingredient ID: NPC312929
Formula: C16H12O5

Common Name	Physcion
IUPAC Name	1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Canonical SMILES	COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C
Standard InCHI	InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
Standard InCHIKey	FFWOKTFYGVYKIR-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10639 ZINC ID: ZINC000003978794 ChEMBL ID: CHEMBL42624
Plant-Ingredient Association Reference	Database: NPASS [NPC312929]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leptocereus quadricostatus	Leptocereus	Cactaceae
Magnolia figo	Michelia	Magnoliaceae
Chaiturus marrubiastrum	Chaiturus	Lamiaceae
Flacourtia jangomas	Flacourtia	Salicaceae
Bletilla striata	Bletilla	Orchidaceae
Rubus alceifolius	Rubus	Rosaceae
Polygonum cuspidatum	Polygonum	Polygonaceae
Onobrychis arenaria	Onobrychis	Fabaceae
Eria mollis	Eria	Orchidaceae
Pluchea sericea	Pluchea	Asteraceae
Dendrobium chrysanthum	Dendrobium	Orchidaceae
Dysoxylum cumingianum	Dysoxylum	Meliaceae
Aizopsis selskiana	Aizopsis	Crassulaceae
Psychotria stachyoides	Psychotria	Rubiaceae
Senna occidentalis	Senna	Fabaceae
Ampelopsis japonica	Ampelopsis	Vitaceae
Dodonaea viscosa	Dodonaea	Sapindaceae
Siphonostegia chinensis	Siphonostegia	Orobanchaceae
Rheum australe	Rheum	Polygonaceae
Pleione yunnanensis	Pleione	Orchidaceae
Rumex patientia	Rumex	Polygonaceae
Teucrium yemense	Teucrium	Lamiaceae
Pinalia stricta	Pinalia	Orchidaceae
Amphorogyne spicata	Amphorogyne	Amphorogynaceae
Neobalanocarpus heimii	Neobalanocarpus	Dipterocarpaceae
Ipomoea muelleri	Ipomoea	Convolvulaceae
Aconitum tasiromontanum	Aconitum	Ranunculaceae
Tanacetum coccineum	Tanacetum	Asteraceae
Mentha canadensis	Mentha	Lamiaceae
Dendriopoterium menendezii	Dendriopoterium	Rosaceae
Adansonia grandidieri	Adansonia	Malvaceae
Mandragora autumnalis	Mandragora	Solanaceae
Physalis alkekengi	Physalis	Solanaceae
Aphyllocladus denticulatus	Aphyllocladus	Asteraceae
Bassia muricata	Bassia	Chenopodiaceae
Arabidopsis lyrata subsp. lyrata	Arabidopsis	Brassicaceae
Vismia laurentii	Vismia	Hypericaceae
Dalbergia lanceolaria subsp. paniculata	Dalbergia	Fabaceae
Thapsia transtagana	Thapsia	Apiaceae
Senecio subdentatus	Senecio	Asteraceae
Aconitum seravschanicum	Aconitum	Ranunculaceae
Carduus tenuiflorus	Carduus	Asteraceae
Abutilon grandiflorum	Abutilon	Malvaceae
Pristimera indica	Pristimera	Celastraceae
Verbascum thapsiforme	Verbascum	Scrophulariaceae
Rumex chalepensis	Rumex	Polygonaceae
Rhododendron dahuricum	Rhododendron	Ericaceae
Euodia bodinieri	Euodia	Rutaceae
Salvia greggii	Salvia	Lamiaceae
Benincasa hispida	Benincasa	Cucurbitaceae
Thryptomene kochii	Thryptomene	Myrtaceae
Pleione bulbocodioides	Pleione	Orchidaceae
Cremastra appendiculata	Cremastra	Orchidaceae
Balanophora laxiflora	Balanophora	Balanophoraceae
Dysosma versipellis	Dysosma	Berberidaceae
Fridericia triplinervia	Fridericia	Bignoniaceae
Anaphalis lactea	Anaphalis	Asteraceae
Viburnum rhytidophyllum	Viburnum	Adoxaceae
Metrodorea nigra	Metrodorea	Rutaceae
Cajanus cajan	Cajanus	Fabaceae
Euphorbia aellenii	Euphorbia	Euphorbiaceae
Prunus japonica	Prunus	Rosaceae
Valeriana cardamines	Valeriana	Caprifoliaceae
Senecio praecox	Senecio	Asteraceae
Garcinia polyantha	Garcinia	Clusiaceae
Uncaria lancifolia	Uncaria	Rubiaceae
Aniba parviflora	Aniba	Lauraceae
Anchusa azurea	Anchusa	Boraginaceae
Nepeta granatensis	Nepeta	Lamiaceae
Gleichenia quadripartita	Gleichenia	Gleicheniaceae
Dipsacus azureus	Dipsacus	Caprifoliaceae
Quercus variabilis	Quercus	Fagaceae
Liabum bourgeaui	Liabum	Asteraceae
Jacquemontia paniculata	Jacquemontia	Convolvulaceae
Tetradium ruticarpum	Tetradium	Rutaceae
Caulerpa peltata	Caulerpa	Caulerpaceae
Lespedeza tomentosa	Lespedeza	Fabaceae
Rosa pomifera	Rosa	Rosaceae
Degenia velebitica	Degenia	Brassicaceae
Albizia myriophylla	Albizia	Fabaceae
Erythrophleum ivorense	Erythrophleum	Fabaceae
Delphinium virgatum	Delphinium	Ranunculaceae
Grangea maderaspatana	Grangea	Asteraceae
Rheum officinale	Rheum	Polygonaceae
Dendrobium chrysotoxum	Dendrobium	Orchidaceae
Tagetes filifolia	Tagetes	Asteraceae
Delphinium nuttallianum	Delphinium	Ranunculaceae
Lupinus corymbosus	Lupinus	Fabaceae
Senecio behnii	Senecio	Asteraceae
Dillenia indica	Dillenia	Dilleniaceae
Dendrobium candidum	Dendrobium	Orchidaceae
Photinia serratifolia	Photinia	Rosaceae
Justicia secunda	Justicia	Acanthaceae
Helichrysum chionosphaerum	Helichrysum	Asteraceae
Mentha arvensis	Mentha	Lamiaceae
Dendrobium fimbriatum	Dendrobium	Orchidaceae
Cynanchum viminale	Cynanchum	Apocynaceae
Ventilago leiocarpa	Ventilago	Rhamnaceae
Rumex dentatus	Rumex	Polygonaceae
Rheum coreanum	Rheum	Polygonaceae
Abrus pulchellus	Abrus	Fabaceae
Spatholobus suberectus	Spatholobus	Fabaceae
Rumex japonicus	Rumex	Polygonaceae
Harungana madagascariensis	Harungana	Hypericaceae
Aster sedifolius	Aster	Asteraceae
Petunia integrifolia subsp. inflata	Petunia	Solanaceae
Andrographis neesiana	Andrographis	Acanthaceae
Coreopsis tinctoria	Coreopsis	Asteraceae
Rubia cordifolia	Rubia	Rubiaceae
Quercus rubra	Quercus	Fagaceae
Baccharis potosina	Baccharis	Asteraceae
Maclura tinctoria	Maclura	Moraceae
Gynochthodes officinalis	Gynochthodes	Rubiaceae
Stevia berlandieri	Stevia	Asteraceae
Ravenia spectabilis	Ravenia	Rutaceae
Rheum palmatum	Rheum	Polygonaceae
Poterium sanguisorba	Poterium	Rosaceae
Senna alexandrina	Senna	Fabaceae
Magnolia ovata	Magnolia	Magnoliaceae
Isodon rubescens	Isodon	Lamiaceae
Aster tataricus	Aster	Asteraceae
Sinocrassula indica	Sinocrassula	Crassulaceae
Nekemias grossedentata	Nekemias	Vitaceae
Fallopia multiflora	Fallopia	Polygonaceae
Boehmeria nivea	Boehmeria	Urticaceae
Corydalis rhizoma	Corydalis	Papaveraceae
Cassia acutifolia	Cassia	Fabaceae
Cassia obtusifolia	Cassia	Fabaceae
Cassia occidentalis	Cassia	Fabaceae
Toxicopueraria peduncularis	Toxicopueraria	Fabaceae
Cassia angustifolia	Cassia	Fabaceae
Morinda officinalis	Morinda	Rubiaceae
Selaginella labordei	Selaginella	Selaginellaceae
Cassia tora	Cassia	Fabaceae
Lavandula vera	Lavandula	Lamiaceae
rumex plants	Rumex	Polygonaceae
Rhamnus	Rhamnus	Rhamnaceae
Dendrobium nobile	Dendrobium	Orchidaceae
Lanaria lanata	Lanaria	Lanariaceae
Frangula purshiana	Frangula	Rhamnaceae
Cranfillia fluviatilis	Cranfillia	Blechnaceae
Euodia officinalis	Euodia	Rutaceae
Acorus gramineus	Acorus	Acoraceae
Rumex nepalensis	Rumex	Polygonaceae
Betula davurica	Betula	Betulaceae
Scilla socialis	Scilla	Hyacinthaceae
Rheum tanguticum	Rheum	Polygonaceae
Senna tora	Senna	Fabaceae
Euodia ruticarpa	Euodia	Rutaceae
Enceliopsis argophylla	Enceliopsis	Asteraceae
Dendrobium loddigesii	Dendrobium	Orchidaceae
Acorus tatarinowii	Acorus	Acoraceae
Rheum undulatum	Rheum	Polygonaceae
Senna obtusifolia	Senna	Fabaceae
Miliusa velutina	Miliusa	Annonaceae

Ingredient ID: NPC307220
Formula: C32H66O

Common Name	n.a.
IUPAC Name	dotriacontan-1-ol
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Standard InCHI	InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3
Standard InCHIKey	QOEHNLSDMADWEF-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 96117 ZINC ID: ZINC000062240776
Plant-Ingredient Association Reference	Database: TCMID [33773]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Acacia pulchella	Acacia	Fabaceae
Vouacapoua macropetala	Vouacapoua	Fabaceae
Garcinia lateriflora	Garcinia	Clusiaceae

Ingredient ID: NPC301583
Formula: C14H28O2

Common Name	n.a.
IUPAC Name	tetradecanoate
Canonical SMILES	CCCCCCCCCCCCCC(=O)[O-]
Standard InCHI	InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/p-1
Standard InCHIKey	TUNFSRHWOTWDNC-UHFFFAOYSA-M
Ingredient External Links	PubChem CID: 4075158
Plant-Ingredient Association Reference	Database: TCMID [23167]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Prunus persica	Prunus	Rosaceae
Lygodium japonicum	Lygodium	Lygodiaceae
Ficus carica	Ficus	Moraceae
Arachis hypogaea	Arachis	Fabaceae
Fagopyrum esculentum	Fagopyrum	Polygonaceae
Terminalia chebula	Terminalia	Combretaceae
Taraxacum mongolicum	Taraxacum	Asteraceae
Melia indica	Melia	Meliaceae
Myristica fragrans	Myristica	Myristicaceae
Clematis chinensis	Clematis	Ranunculaceae
Brassica oleracea var. sabauda	Brassica	Brassicaceae
Citrullus lanatus subsp. vulgaris	Citrullus	Cucurbitaceae
Acorus tatarinowii	Acorus	Acoraceae

Ingredient ID: NPC277400
Formula: C30H48O3

Common Name	n.a.
IUPAC Name	(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@H](C1(C)C)O)C(=O)O
Standard InCHI	InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20-,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1
Standard InCHIKey	QGJZLNKBHJESQX-AWESBICXSA-N
Ingredient External Links	PubChem CID: 11897956
Plant-Ingredient Association Reference	Database: TCMID [24858]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Dolomiaea souliei	Dolomiaea	Asteraceae
Rubus alceifolius	Rubus	Rosaceae
Rhodomyrtus tomentosa	Rhodomyrtus	Myrtaceae
Vitex rotundifolia	Vitex	Lamiaceae
Citrus wilsonii	Citrus	Rutaceae
Sparganium stoloniferum	Sparganium	Typhaceae
Diospyros kaki	Diospyros	Ebenaceae
Lythrum salicaria	Lythrum	Lythraceae
Forsythia suspensa	Forsythia	Oleaceae
Lycopus lucidus	Lycopus	Lamiaceae
Abrus pulchellus	Abrus	Fabaceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Humulus japonicus	Humulus	Cannabaceae
Morus alba	Morus	Moraceae
Euonymus alatus	Euonymus	Celastraceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Viscum album	Viscum	Viscaceae

Ingredient ID: NPC275463
Formula: C21H20O12

Common Name	n.a.
IUPAC Name	4-[5,7-dihydroxy-4-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenolate
Canonical SMILES	OC[C@H]1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)[O-])c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/p-1/t13-,15+,17+,18-,21?/m1/s1
Standard InCHIKey	OVSQVDMCBVZWGM-HBDJNLTOSA-M
Ingredient External Links	PubChem CID: 54758589
Plant-Ingredient Association Reference	Database: TCMID [23275]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Ophiorrhiza liukiuensis	Ophiorrhiza	Rubiaceae
Artemisia capillaris	Artemisia	Asteraceae
Rubus alceifolius	Rubus	Rosaceae
Polygonum cuspidatum	Polygonum	Polygonaceae
Crataegus pinnatifida	Crataegus	Rosaceae
Camptotheca acuminata	Camptotheca	Nyssaceae
Hypericum ascyron	Hypericum	Hypericaceae
Uncaria rhynchophylla	Uncaria	Rubiaceae
Houttuynia cordata	Houttuynia	Saururaceae
Geranium wilfordii	Geranium	Geraniaceae
Euphorbia lunulata	Euphorbia	Euphorbiaceae
Scutellaria barbata	Scutellaria	Lamiaceae
Cuscuta chinensis	Cuscuta	Convolvulaceae
Apocynum venetum	Apocynum	Apocynaceae
Eucommia ulmoides	Eucommia	Eucommiaceae
Convallaria keiskei	Convallaria	Asparagaceae
Prunella vulgaris	Prunella	Lamiaceae
Rhododendron mucronulatum	Rhododendron	Ericaceae
Agrimonia pilosa	Agrimonia	Rosaceae
Rosa chinensis	Rosa	Rosaceae
Diospyros kaki	Diospyros	Ebenaceae
Senecio scandens	Senecio	Asteraceae
Rubus idaeus	Rubus	Rosaceae
Saururus chinensis	Saururus	Saururaceae
Rhododendron dauricum	Rhododendron	Ericaceae
Hypericum japonicum	Hypericum	Hypericaceae
Garcinia dulcis	Garcinia	Clusiaceae
Epimedium koreanum	Epimedium	Berberidaceae
Pyrola calliantha	Pyrola	Ericaceae
Fagopyrum esculentum	Fagopyrum	Polygonaceae
Rhododendron micranthum	Rhododendron	Ericaceae
Sanguisorba officinalis	Sanguisorba	Rosaceae
Humulus japonicus	Humulus	Cannabaceae
Abelmoschus manihot	Abelmoschus	Malvaceae
Pyrola decorata	Pyrola	Ericaceae
Sinoadina racemosa	Sinoadina	Rubiaceae
Euonymus alatus	Euonymus	Celastraceae
Nelumbo nucifera	Nelumbo	Nelumbonaceae
Hypericum perforatum	Hypericum	Hypericaceae
Epimedium brevicornu	Epimedium	Berberidaceae
Lagerstroemia speciosa	Lagerstroemia	Lythraceae
Tussilago farfara	Tussilago	Asteraceae
Brassica oleracea var. sabauda	Brassica	Brassicaceae
Picrorhiza kurrooa	Picrorhiza	Plantaginaceae
Eupatorium lindleyanum	Eupatorium	Asteraceae

Ingredient ID: NPC271586
Formula: C12H12N2O3

Common Name	n.a.
IUPAC Name	(E)-N'-(2-phenylacetyl)but-2-enediamide
Canonical SMILES	O=C(Cc1ccccc1)N=C(/C=C/C(=N)O)O
Standard InCHI	InChI=1S/C12H12N2O3/c13-10(15)6-7-11(16)14-12(17)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,15)(H,14,16,17)/b7-6+
Standard InCHIKey	RPPKWABVORYKHA-VOTSOKGWSA-N
Ingredient External Links	PubChem CID: 5970690
Plant-Ingredient Association Reference	Database: UNPD [UNPD174159]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Rubus alceifolius	Rubus	Rosaceae

Ingredient ID: NPC271138
Formula: C36H58O11

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC(=O)[C@@]23CC[C@H]([C@@]([C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)C[C@H]([C@@H]([C@@]2(C)CO)O)O)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1
Standard InCHIKey	WKKBYJLXSKPKSC-JVJIQXRHSA-N
Ingredient External Links	PubChem CID: 16118969 ZINC ID: ZINC000049841125
Plant-Ingredient Association Reference	Database: NPASS [NPC271138]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Petasites japonicus	Petasites	Asteraceae
Rubus alceifolius	Rubus	Rosaceae
Acacia armata	Acacia	Fabaceae
Solanum pseudoquina	Solanum	Solanaceae
Lonchocarpus laxiflorus	Lonchocarpus	Fabaceae
Cissus quinquefolia	Cissus	Vitaceae
Eragrostis curvula	Eragrostis	Poaceae
Ligularia dentata	Ligularia	Asteraceae
Rubus coreanus	Rubus	Rosaceae
Rubus idaeus	Rubus	Rosaceae
Plantago lundborgii	Plantago	Plantaginaceae
Triadica sebifera	Triadica	Euphorbiaceae
Rubus chingii	Rubus	Rosaceae
Taraxacum officinale	Taraxacum	Asteraceae
Casimiroa tetrameria	Casimiroa	Rutaceae
Terminalia chebula	Terminalia	Combretaceae
Pygeum topengii	Pygeum	Rosaceae
Combretum quadrangulare	Combretum	Combretaceae
Senecio sinuatus	Senecio	Asteraceae
Sideritis arborescens	Sideritis	Lamiaceae
Colchicum speciosum	Colchicum	Colchicaceae
Adonis sutchuenensis	Adonis	Ranunculaceae
Isophysis tasmanica	Isophysis	Iridaceae
Astragalus ernestii	Astragalus	Fabaceae
Metasequoia glyptostroboides	Metasequoia	Cupressaceae
Rosa laevigata	Rosa	Rosaceae
Matricaria matricarioides	Matricaria	Asteraceae
Fritillaria meleagris	Fritillaria	Liliaceae
Berneuxia thibetica	Berneuxia	Diapensiaceae
Bongardia chrysogonum	Bongardia	Berberidaceae
Heliomeris multiflora	Heliomeris	Asteraceae

Ingredient ID: NPC266573
Formula: C28H30N2O4

Common Name	n.a.
IUPAC Name	[(2R)-2-[[[(2S)-2-benzamido-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate
Canonical SMILES	CC(=O)OC[C@H](Cc1ccccc1)CN=C([C@@H](N=C(c1ccccc1)O)Cc1ccccc1)O
Standard InCHI	InChI=1S/C28H30N2O4/c1-21(31)34-20-24(17-22-11-5-2-6-12-22)19-29-28(33)26(18-23-13-7-3-8-14-23)30-27(32)25-15-9-4-10-16-25/h2-16,24,26H,17-20H2,1H3,(H,29,33)(H,30,32)/t24-,26+/m1/s1
Standard InCHIKey	AZLMMOOHDUSWNU-RSXGOPAZSA-N
Ingredient External Links	PubChem CID: 5321123 ZINC ID: ZINC000033833611
Plant-Ingredient Association Reference	Database: TCMID [25013]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Changium smyrnioides	Changium	Apiaceae
Clerodendrum trichotomum	Clerodendrum	Lamiaceae
Ilex cornuta	Ilex	Aquifoliaceae
Lythrum salicaria	Lythrum	Lythraceae
Artemisia annua	Artemisia	Asteraceae
Anemarrhena asphodeloides	Anemarrhena	Asparagaceae
Centipeda minima	Centipeda	Asteraceae
Inula japonica	Inula	Asteraceae

Ingredient ID: NPC263334
Formula: C13H20O3

Common Name	n.a.
IUPAC Name	(4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
Canonical SMILES	C[C@@H](/C=C/[C@]1(O)C(=CC(=O)CC1(C)C)C)O
Standard InCHI	InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m0/s1
Standard InCHIKey	KPQMCAKZRXOZLB-BXQPDHIASA-N
Ingredient External Links	PubChem CID: 11816951 ZINC ID: ZINC000004096339
Plant-Ingredient Association Reference	Database: TCMID [22599]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Passiflora edulis	Passiflora	Passifloraceae
Rubus alceifolius	Rubus	Rosaceae
Houttuynia cordata	Houttuynia	Saururaceae
Ilex pubescens	Ilex	Aquifoliaceae
Ligusticum sinense	Ligusticum	Apiaceae
Akebia quinata	Akebia	Lardizabalaceae
Murraya paniculata	Murraya	Rutaceae
Strychnos nux-vomica	Strychnos	Loganiaceae
Prunus armeniaca	Prunus	Rosaceae
Myrica nagi	Myrica	Myricaceae
Litsea glutinosa	Litsea	Lauraceae
Ziziphus jujuba	Ziziphus	Rhamnaceae

Ingredient ID: NPC255463
Formula: C30H48O4

Common Name	n.a.
IUPAC Name	10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Canonical SMILES	CC1CCC2(C(C1C)C1=CCC3C(C1(CC2)C)(C)CCC1C3(C)CC(O)C(C1(C)C)O)C(=O)O
Standard InCHI	InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)
Standard InCHIKey	HFGSQOYIOKBQOW-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 15917996
Plant-Ingredient Association Reference	Database: TCMID [30811]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Campsis grandiflora	Campsis	Bignoniaceae
Eriobotrya japonica	Eriobotrya	Rosaceae
Lagerstroemia speciosa	Lagerstroemia	Lythraceae

Ingredient ID: NPC254848
Formula: C15H10O5

Common Name	n.a.
IUPAC Name	3,8-dihydroxy-6-methyl-9,10-dioxoanthracen-1-olate
Canonical SMILES	[O-]c1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C
Standard InCHI	InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3/p-1
Standard InCHIKey	RHMXXJGYXNZAPX-UHFFFAOYSA-M
Ingredient External Links	PubChem CID: 25201450
Plant-Ingredient Association Reference	Database: TCMID [6775]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Dolomiaea souliei	Dolomiaea	Asteraceae
Sargentodoxa cuneata	Sargentodoxa	Lardizabalaceae
Hedera helix	Hedera	Araliaceae
Rubus alceifolius	Rubus	Rosaceae
Polygonum cuspidatum	Polygonum	Polygonaceae
Senna occidentalis	Senna	Fabaceae
Rheum australe	Rheum	Polygonaceae
Rumex crispus	Rumex	Polygonaceae
Rhamnus davurica	Rhamnus	Rhamnaceae
Rumex patientia	Rumex	Polygonaceae
Dioscorea collettii var. hypoglauca	Dioscorea	Dioscoreaceae
Codonopsis pilosula	Codonopsis	Campanulaceae
Rheum wittrocki	Rheum	Polygonaceae
Artemisia scoparia	Artemisia	Asteraceae
Senecio scandens	Senecio	Asteraceae
Rheum officinale	Rheum	Polygonaceae
Epimedium koreanum	Epimedium	Berberidaceae
Myrsine africana	Myrsine	Primulaceae
Ventilago leiocarpa	Ventilago	Rhamnaceae
Rumex dentatus	Rumex	Polygonaceae
Abrus pulchellus	Abrus	Fabaceae
Rumex japonicus	Rumex	Polygonaceae
Fagopyrum esculentum	Fagopyrum	Polygonaceae
Anemarrhena asphodeloides	Anemarrhena	Asparagaceae
Carapichea ipecacuanha	Carapichea	Rubiaceae
Rheum palmatum	Rheum	Polygonaceae
Oplopanax elatus	Oplopanax	Araliaceae
Fallopia multiflora	Fallopia	Polygonaceae
Rumex nepalensis	Rumex	Polygonaceae
Persicaria perfoliata	Persicaria	Polygonaceae
Vismia orientalis	Vismia	Hypericaceae
Rheum tanguticum	Rheum	Polygonaceae
Senna tora	Senna	Fabaceae
Senna obtusifolia	Senna	Fabaceae

Ingredient ID: NPC250288
Formula: C22H34O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)C1[C@H](O)[C@@H](OC)[C@@]([C@H]3[C@@]1([C@@H](C2)OC(C3)O)C)(C)O
Standard InCHI	InChI=1S/C22H34O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-17,19,23-24,26H,8-9H2,1-6H3/t10-,11+,13-,14-,15?,16+,17?,19-,20+,21-,22+/m1/s1
Standard InCHIKey	POGHHDUAPIJTLG-JDAHVCDGSA-N
Ingredient External Links	PubChem CID: 10092991
Plant-Ingredient Association Reference	Database: TCMID [15533]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Rubus alceifolius	Rubus	Rosaceae
Picrasma quassioides	Picrasma	Simaroubaceae

Ingredient ID: NPC24332
Formula: C30H48O5

Common Name	n.a.
IUPAC Name	(1R,2S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-2,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@](C)(O)CC1)C(=O)O)C
Standard InCHI	InChI=1S/C30H48O5/c1-17-22-18-8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)10-11-28(21,6)27(18,5)12-14-30(22,24(33)34)15-13-29(17,7)35/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22+,23+,26+,27-,28-,29+,30-/m1/s1
Standard InCHIKey	XORTUBPMOSRQOH-LJKZOJALSA-N
Ingredient External Links	PubChem CID: 401423
Plant-Ingredient Association Reference	Database: TCMID [32079]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Torilis japonica	Torilis	Apiaceae
Isodon amethystoides	Isodon	Lamiaceae
Ligustrum lucidum	Ligustrum	Oleaceae
Rubus idaeus	Rubus	Rosaceae
Pygeum topengii	Pygeum	Rosaceae

Ingredient ID: NPC2421
Formula: C36H58O11

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2S,4aS,6aR,6aS,6bR,8aR,9R,10S,11S,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC(=O)[C@@]23CC[C@@H]([C@@]([C@H]3C3=CC[C@H]4[C@@]([C@@]3(CC2)C)(C)CC[C@@H]2[C@]4(C)C[C@@H]([C@H]([C@@]2(C)CO)O)O)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29-,31-,32-,33+,34+,35+,36-/m0/s1
Standard InCHIKey	WKKBYJLXSKPKSC-KWWNYLJESA-N
Ingredient External Links	PubChem CID: 44566341
Plant-Ingredient Association Reference	Database: TCMID [15530]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Prunella vulgaris	Prunella	Lamiaceae
Rabdosia excisa	Isodon	Lamiaceae
Geum japonicum	Geum	Rosaceae
Symplocos chinensis	Symplocos	Symplocaceae

Ingredient ID: NPC241536
Formula: C32H30N2O4

Common Name	n.a.
IUPAC Name	(2-benzamido-3-phenylpropyl) (2S)-2-benzamido-3-phenylpropanoate
Canonical SMILES	O=C([C@@H](N=C(c1ccccc1)O)Cc1ccccc1)OCC(N=C(c1ccccc1)O)Cc1ccccc1
Standard InCHI	InChI=1S/C32H30N2O4/c35-30(26-17-9-3-10-18-26)33-28(21-24-13-5-1-6-14-24)23-38-32(37)29(22-25-15-7-2-8-16-25)34-31(36)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2,(H,33,35)(H,34,36)/t28?,29-/m0/s1
Standard InCHIKey	CVULDJMCSSACEO-XIJSCUBXSA-N
Ingredient External Links	PubChem CID: 90474294
Plant-Ingredient Association Reference	Database: TCMID [33705]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Rubus alceifolius	Rubus	Rosaceae
Daphne genkwa	Daphne	Thymelaeaceae

Ingredient ID: NPC225240
Formula: C30H50O2

Common Name	n.a.
IUPAC Name	(3S,6aR,6bS,8aS,11R,12S,12aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
Canonical SMILES	OC[C@@]12CC[C@H]([C@@H]([C@H]2C2=CCC3[C@@]([C@@]2(CC1)C)(C)CCC1[C@]3(C)CC[C@@H](C1(C)C)O)C)C
Standard InCHI	InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22?,23?,24+,25+,27+,28-,29-,30-/m1/s1
Standard InCHIKey	XUARCIYIVXVTAE-AZUMOFOVSA-N
Ingredient External Links	PubChem CID: 6708704
Plant-Ingredient Association Reference	Database: TCMID [22272]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Ilex pubescens	Ilex	Aquifoliaceae
Diospyros kaki	Diospyros	Ebenaceae

Ingredient ID: NPC188203
Formula: C16H12O7

Common Name	2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-8-Methoxychromen-4-One
IUPAC Name	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one
Canonical SMILES	COc1c(O)cc(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O
Standard InCHI	InChI=1S/C16H12O7/c1-22-15-12(21)5-10(19)14-11(20)6-13(23-16(14)15)7-2-3-8(17)9(18)4-7/h2-6,17-19,21H,1H3
Standard InCHIKey	FPSMUVCMXQTXND-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5316843 ZINC ID: ZINC000014645263 ChEMBL ID: CHEMBL476730
Plant-Ingredient Association Reference	Database: NPASS [NPC188203]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Pygeum topengii	Pygeum	Rosaceae
Peucedanum ostruthium	Peucedanum	Apiaceae
Rosa multiflora	Rosa	Rosaceae

Ingredient ID: NPC158371
Formula: C30H48O5

Common Name	Euscaphic Acid
IUPAC Name	(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	O[C@@H]1C[C@@]2(C)[C@H](C([C@@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@](C)(O)[C@H](C)CC1)C(=O)O)C
Standard InCHI	InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23-,26+,27-,28-,29-,30+/m1/s1
Standard InCHIKey	OXVUXGFZHDKYLS-QUFHAEKXSA-N
Ingredient External Links	PubChem CID: 471426 ChEMBL ID: CHEMBL239075
Plant-Ingredient Association Reference	Database: NPASS [NPC158371]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Centella asiatica	Centella	Apiaceae
Rubus alceifolius	Rubus	Rosaceae
Cneorum pulverulentum	Cneorum	Rutaceae
Glycine falcata	Glycine	Fabaceae
Polygala amarella	Polygala	Polygalaceae
Salvia trijuga	Salvia	Lamiaceae
Cissus quinquefolia	Cissus	Vitaceae
Diospyros verrucosa	Diospyros	Ebenaceae
Prunella vulgaris	Prunella	Lamiaceae
Geranium nepalense	Geranium	Geraniaceae
Ligularia dentata	Ligularia	Asteraceae
Euphorbia franckiana	Euphorbia	Euphorbiaceae
Uncaria gambier	Uncaria	Rubiaceae
Athanasia crithmifolia	Athanasia	Asteraceae
Perovskia abrotanoides	Salvia	Lamiaceae
Kippistia suaedifolia	Kippistia	Asteraceae
Picradeniopsis pringlei	Picradeniopsis	Asteraceae
Glycyrrhiza kansuensis	Glycyrrhiza	Fabaceae
Hertia intermedia	Hertia	Asteraceae
Swertia angustifolia	Swertia	Gentianaceae
Pelargonium reniforme	Pelargonium	Geraniaceae
Haplopappus ciliatus	Haplopappus	Asteraceae
Eriobotrya japonica	Eriobotrya	Rosaceae
Tetraneuris acaulis	Tetraneuris	Asteraceae
Casimiroa tetrameria	Casimiroa	Rutaceae
Sanguisorba officinalis	Sanguisorba	Rosaceae
Cardamine pinnata	Cardamine	Brassicaceae
Codonocarpus australis	Codonocarpus	Gyrostemonaceae
Schizonepeta multifida	Schizonepeta	Lamiaceae
Swertia japonica	Swertia	Gentianaceae
Quercus serrata	Quercus	Fagaceae
Crateva nurvala	Crateva	Capparaceae
Polygala amara	Polygala	Polygalaceae
Stephania sutchuenensis	Stephania	Menispermaceae
Unonopsis glaucopetala	Unonopsis	Annonaceae
Rubus rosa	Rubus	Rosaceae
Pleogyne cunninghamii	Pleogyne	Menispermaceae
Pyrola decorata	Pyrola	Ericaceae
Pleogyne cunninghami	Pleogyne	Menispermaceae
Pygeum topengii	Pygeum	Rosaceae
Euonymus nanoides	Euonymus	Celastraceae
Cerbera dilatata	Cerbera	Apocynaceae
Achillea clypeolata	Achillea	Asteraceae
Bridelia ferruginea	Bridelia	Phyllanthaceae
Berberis julianae	Berberis	Berberidaceae
Zieria smithii	Zieria	Rutaceae
Bystropogon origanifolius	Bystropogon	Lamiaceae
Geum japonicum	Geum	Rosaceae
Euscaphis japonica	Euscaphis	Staphyleaceae
Senecio sinuatus	Senecio	Asteraceae
Colchicum speciosum	Colchicum	Colchicaceae
Dryopteris crassirhizoma	Dryopteris	Dryopteridaceae
Agathosma thymifolia	Agathosma	Rutaceae
Jacobaea subalpina	Jacobaea	Asteraceae
Rosa laevigata	Rosa	Rosaceae
Diphasiastrum alpinum	Diphasiastrum	Lycopodiaceae
Heliomeris multiflora	Heliomeris	Asteraceae

Ingredient ID: NPC147066
Formula: C30H46O3

Common Name	n.a.
IUPAC Name	(2S)-6-methyl-2-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
Canonical SMILES	CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C(=O)O)C
Standard InCHI	InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24H,8,10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22-,24-,28+,29-,30+/m0/s1
Standard InCHIKey	PYHNHGARAGBCRY-ZYHXIRFQSA-N
Ingredient External Links	PubChem CID: 158100 ZINC ID: ZINC000031458984
Plant-Ingredient Association Reference	Database: NPASS [NPC147066]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Rubus alceifolius	Rubus	Rosaceae
Xanthoceras sorbifolia	Xanthoceras	Sapindaceae

Ingredient ID: NPC142753
Formula: C35H60O6

Common Name	n.a.
IUPAC Name	(3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	CC[C@@H](C(C)C)CC[C@H](C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C
Standard InCHI	InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26?,27+,28+,29-,30-,31+,32-,33?,34+,35-/m1/s1
Standard InCHIKey	NPJICTMALKLTFW-MSNYQJDCSA-N
Ingredient External Links	PubChem CID: 52940117
Plant-Ingredient Association Reference	Database: TCMID [4679]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tinospora capillipes	Tinospora	Menispermaceae
Ophiorrhiza liukiuensis	Ophiorrhiza	Rubiaceae
Cistanche deserticola	Cistanche	Orobanchaceae
Akebia trifoliata	Akebia	Lardizabalaceae
Rubus alceifolius	Rubus	Rosaceae
Echinops grijsii	Echinops	Asteraceae
Asparagus cochinchinensis	Asparagus	Asparagaceae
Eleutherococcus sessiliflorus	Eleutherococcus	Araliaceae
Amomum villosum	Amomum	Zingiberaceae
Eleutherococcus senticosus	Eleutherococcus	Araliaceae
Dendrobium chrysanthum	Dendrobium	Orchidaceae
Pinellia pedatisecta	Pinellia	Araceae
Zingiber aromaticum	Zingiber	Zingiberaceae
Caltha palustris	Caltha	Ranunculaceae
Rheum australe	Rheum	Polygonaceae
Changium smyrnioides	Changium	Apiaceae
Pulsatilla chinensis	Pulsatilla	Ranunculaceae
Aquilaria sinensis	Aquilaria	Thymelaeaceae
Walsura yunnanensis	Walsura	Meliaceae
Aristolochia contorta	Aristolochia	Aristolochiaceae
Brucea javanica	Brucea	Simaroubaceae
Citrus medica	Citrus	Rutaceae
Daucus carota	Daucus	Apiaceae
Citrus wilsonii	Citrus	Rutaceae
Saposhnikovia divaricata	Saposhnikovia	Apiaceae
Elsholtzia bodinieri	Elsholtzia	Lamiaceae
Prunella vulgaris	Prunella	Lamiaceae
Rabdosia excisa	Isodon	Lamiaceae
Dysosma versipellis	Dysosma	Berberidaceae
Diospyros kaki	Diospyros	Ebenaceae
Cyclea racemosa	Cyclea	Menispermaceae
Fritillaria walujewii	Fritillaria	Liliaceae
Saussurea involucrata	Saussurea	Asteraceae
Rauvolfia verticillata	Rauvolfia	Apocynaceae
Hyoscyamus niger	Hyoscyamus	Solanaceae
Pinellia ternata	Pinellia	Araceae
Tadehagi triquetrum	Tadehagi	Fabaceae
Akebia quinata	Akebia	Lardizabalaceae
Artemisia anomala	Artemisia	Asteraceae
Boschniakia rossica	Boschniakia	Orobanchaceae
Rubus idaeus	Rubus	Rosaceae
Populus tomentosa	Populus	Salicaceae
Campsis grandiflora	Campsis	Bignoniaceae
Patrinia scabiosifolia	Patrinia	Caprifoliaceae
Punica granatum	Punica	Lythraceae
Lycopus lucidus	Lycopus	Lamiaceae
Solanum nigrum	Solanum	Solanaceae
Gastrodia elata	Gastrodia	Orchidaceae
Urtica dioica	Urtica	Urticaceae
Jatropha curcas	Jatropha	Euphorbiaceae
Elsholtzia splendens	Elsholtzia	Lamiaceae
Drynaria fortunei	Drynaria	Polypodiaceae
Paeonia veitchii	Paeonia	Paeoniaceae
Angelica dahurica	Angelica	Apiaceae
Rhodiola sacra	Rhodiola	Crassulaceae
Abrus pulchellus	Abrus	Fabaceae
Maytenus hookeri	Maytenus	Celastraceae
Fagopyrum esculentum	Fagopyrum	Polygonaceae
Taraxacum officinale	Taraxacum	Asteraceae
Dracocephalum moldavicum	Dracocephalum	Lamiaceae
Pteris multifida	Pteris	Pteridaceae
Gentiana dahurica	Gentiana	Gentianaceae
Artemisia vestita	Artemisia	Asteraceae
Mollugo pentaphylla	Mollugo	Molluginaceae
Sorbaria arborea	Sorbaria	Rosaceae
Pygeum topengii	Pygeum	Rosaceae
Cullen corylifolium	Cullen	Fabaceae
Caragana sinica	Caragana	Fabaceae
Panax ginseng	Panax	Araliaceae
Oplopanax elatus	Oplopanax	Araliaceae
Uncaria sinensis	Uncaria	Rubiaceae
Fallopia multiflora	Fallopia	Polygonaceae
Balanophora involucrata	Balanophora	Balanophoraceae
Agastache rugosus	Agastache	Lamiaceae
Andrographis paniculata	Andrographis	Acanthaceae
Ardisia arborescens	Ardisia	Primulaceae
Isatis tinctoria	Isatis	Brassicaceae
Scrophularia ningpoensis	Scrophularia	Scrophulariaceae
Aconitum carmichaelii	Aconitum	Ranunculaceae
Ampelopsis glandulosa var. brevipedunculata	Ampelopsis	Vitaceae
Euphorbia humifusa	Euphorbia	Euphorbiaceae
Salvia miltiorrhiza	Salvia	Lamiaceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Astilbe chinensis	Astilbe	Saxifragaceae
Smilax glabra	Smilax	Smilacaceae
Commelina communis	Commelina	Commelinaceae
Rehmannia glutinosa	Rehmannia	Orobanchaceae
Symplocos chinensis	Symplocos	Symplocaceae
Pueraria montana var. lobata	Pueraria	Fabaceae
Gardenia jasminoides	Gardenia	Rubiaceae
Crinum asiaticum	Crinum	Amaryllidaceae

Ingredient ID: NPC131002
Formula: C35H64O6

Common Name	Corossoline
IUPAC Name	(2S)-4-[(8R,13R)-8,13-dihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Canonical SMILES	CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC[C@@H](CCCCCCCC1=C[C@@H](OC1=O)C)O)O)O
Standard InCHI	InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30+,31+,32+,33+,34+/m0/s1
Standard InCHIKey	GBNCDYGXXWZSAO-YZDQYAEISA-N
Ingredient External Links	PubChem CID: 11071966 ZINC ID: ZINC000043335237 ChEMBL ID: CHEMBL445024
Plant-Ingredient Association Reference	Database: NPASS [NPC131002]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rubus alceifolius	Rubus	Rosaceae
Annona muricata	Annona	Annonaceae
Goniothalamus leiocarpus	Goniothalamus	Annonaceae

Ingredient ID: NPC125935
Formula: C30H50O2

Common Name	n.a.
IUPAC Name	(3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Canonical SMILES	OCC12CC=C3C(C2CC(CC1)(C)C)(C)CCC1C3(C)CCC2[C@]1(C)CC[C@@H](C2(C)C)O
Standard InCHI	InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3/t20?,21?,23?,24-,27-,28?,29?,30?/m0/s1
Standard InCHIKey	RJAKLUPHSBOQNU-KYJZBGRDSA-N
Ingredient External Links	PubChem CID: 5319977
Plant-Ingredient Association Reference	Database: TCMID [15146]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia capillaris	Artemisia	Asteraceae
Rubus alceifolius	Rubus	Rosaceae
Houttuynia cordata	Houttuynia	Saururaceae
Ephedra sinica	Ephedra	Ephedraceae
Medicago sativa	Medicago	Fabaceae
Artemisia scoparia	Artemisia	Asteraceae
Forsythia suspensa	Forsythia	Oleaceae
Angelica pubescens	Angelica	Apiaceae
Hansenia forbesii	Hansenia	Apiaceae
Boenninghausenia albiflora	Boenninghausenia	Rutaceae
Citrus reticulata	Citrus	Rutaceae
Saussurea costus	Saussurea	Asteraceae
Artemisia annua	Artemisia	Asteraceae
Bupleurum chinense	Bupleurum	Apiaceae
Morella rubra	Morella	Myricaceae
Pelargonium graveolens	Pelargonium	Geraniaceae
Asarum sieboldii	Asarum	Aristolochiaceae
Schisandra chinensis	Schisandra	Schisandraceae

Ingredient ID: NPC110396
Formula: C8H8O4

Common Name	2,6-Dimethoxyquinone
IUPAC Name	2,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Canonical SMILES	COC1=CC(=O)C=C(C1=O)OC
Standard InCHI	InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
Standard InCHIKey	OLBNOBQOQZRLMP-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 68262 ChEMBL ID: CHEMBL448515
Plant-Ingredient Association Reference	Database: NPASS [NPC110396]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tanacetum nubigenum	Tanacetum	Asteraceae
Dracaena concinna	Dracaena	Asparagaceae
Baccharis grandicapitulata	Baccharis	Asteraceae
Renealmia alpinia	Renealmia	Zingiberaceae
Rubus alceifolius	Rubus	Rosaceae
Morella pensylvanica	Morella	Myricaceae
Cyperus capitatus	Cyperus	Cyperaceae
Delphinium giraldii	Delphinium	Ranunculaceae
Stellaria media	Stellaria	Caryophyllaceae
Litsea nitida	Litsea	Lauraceae
Curcuma aeruginosa	Curcuma	Zingiberaceae
Achillea wilhelmsii	Achillea	Asteraceae
Piper brachystachyum	Piper	Piperaceae
Gynura segetum	Gynura	Asteraceae
Tripterygium wilfordii	Tripterygium	Celastraceae
Tephroseris kirilowii	Tephroseris	Asteraceae
Ophiorrhiza kuroiwae	Ophiorrhiza	Rubiaceae
Delphinium tricorne	Delphinium	Ranunculaceae
Senecio congestus	Senecio	Asteraceae
Jatropha gossypiifolia	Jatropha	Euphorbiaceae
Tamarix dioica	Tamarix	Tamaricaceae
Boronia alata	Boronia	Rutaceae
Lobelia langeana	Lobelia	Campanulaceae
Papaver pseudocanescens	Papaver	Papaveraceae
Sassafras officinalis	Sassafras	Lauraceae
Backhousia angustifolia	Backhousia	Myrtaceae
Helleborus viridis	Helleborus	Ranunculaceae
Sideritis dasygnaphala	Sideritis	Lamiaceae
Juniperus ashei	Juniperus	Cupressaceae
Xanthium canadense	Xanthium	Asteraceae
Iris sibirica	Iris	Iridaceae
Gutierrezia dracunculoides	Gutierrezia	Asteraceae
Haemanthus albiflos	Haemanthus	Amaryllidaceae
Sibiraea angustata	Sibiraea	Rosaceae
Psidium acutangulum	Psidium	Myrtaceae
Beesia calthifolia	Beesia	Ranunculaceae
Valeriana officinalis	Valeriana	Caprifoliaceae
Cunninghamia lanceolata var. konishii	Cunninghamia	Cupressaceae
Peltophorum dubium	Peltophorum	Fabaceae
Isodon amethystoides	Isodon	Lamiaceae
Bursera kerberi	Bursera	Burseraceae
Hordeum bulbosum	Hordeum	Poaceae
Helenium integrifolium	Helenium	Asteraceae
Dioscorea villosa	Dioscorea	Dioscoreaceae
Rhododendron mucronulatum	Rhododendron	Ericaceae
Euonymus fortunei	Euonymus	Celastraceae
Agathis lanceolata	Agathis	Araucariaceae
Magnolia henryi	Magnolia	Magnoliaceae
Phlomis crinita	Phlomis	Lamiaceae
Micromelum falcatum	Micromelum	Rutaceae
Eria siamensis	Eria	Orchidaceae
Crotalaria stolzii	Crotalaria	Fabaceae
Selinum libanotis	Selinum	Apiaceae
Prunus pseudocerasus	Prunus	Rosaceae
Vernonia aurea	Vernonia	Asteraceae
Melampodium leucanthum	Melampodium	Asteraceae
Clerodendrum trichotomum	Clerodendrum	Lamiaceae
Juniperus scopulorum	Juniperus	Cupressaceae
Clinacanthus nutans	Clinacanthus	Acanthaceae
Betula papyrifera	Betula	Betulaceae
Alstonia angustiloba	Alstonia	Apocynaceae
Lasianthaea podocephala	Lasianthaea	Asteraceae
Eucalyptus albens	Eucalyptus	Myrtaceae
Ephedra altissima	Ephedra	Ephedraceae
Annona cherimola	Annona	Annonaceae
Bignonia unguiscati	Bignonia	Bignoniaceae
Coronilla hyrcana	Coronilla	Fabaceae
Pellacalyx axillaris	Pellacalyx	Rhizophoraceae
Erica cinerea	Erica	Ericaceae
Maytenus emarginata	Maytenus	Celastraceae
Boschniakia rossica	Boschniakia	Orobanchaceae
Coffea liberica var. dewevrei	Coffea	Rubiaceae
Botrychium ternatum	Botrychium	Ophioglossaceae
Lupinus cosentinii	Lupinus	Fabaceae
Vigna angularis	Vigna	Fabaceae
Robinia pseudoacacia	Robinia	Fabaceae
Acacia salicina	Acacia	Fabaceae
Neolitsea pulchella	Neolitsea	Lauraceae
Isolona pilosa	Isolona	Annonaceae
Hedysarum gmelini	Hedysarum	Fabaceae
Euploca racemosa	Euploca	Heliotropiaceae
Cinnamomum philippinense	Cinnamomum	Lauraceae
Blighia welwitschii	Blighia	Sapindaceae
Salvia miniata	Salvia	Lamiaceae
Triticum aestivum	Triticum	Poaceae
Aeschynanthus parvifolius	Aeschynanthus	Gesneriaceae
Kalanchoe blossfeldiana	Kalanchoe	Crassulaceae
Zanthoxylum nitidum	Zanthoxylum	Rutaceae
Fraxinus szaboana	Fraxinus	Oleaceae
Artemisia pectinata	Artemisia	Asteraceae
Zephyranthes flava	Zephyranthes	Amaryllidaceae

Ingredient ID: NPC104222
Formula: C41H32O26

Common Name	Pentagalloyl Glucose
IUPAC Name	[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Canonical SMILES	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI	InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
Standard InCHIKey	QJYNZEYHSMRWBK-NIKIMHBISA-N
Ingredient External Links	PubChem CID: 65238 ChEMBL ID: CHEMBL382408
Plant-Ingredient Association Reference	Database: NPASS [NPC104222]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Triaenophora rupestris	Triaenophora	Orobanchaceae
Larix cajanderi	Larix	Pinaceae
Sextonia rubra	Sextonia	Lauraceae
Dioscorea japonica	Dioscorea	Dioscoreaceae
Rubus alceifolius	Rubus	Rosaceae
Cedrus libani	Cedrus	Pinaceae
Justicia paniculata	Justicia	Acanthaceae
Conyza canadensis	Conyza	Asteraceae
Khaya ivorensis	Khaya	Meliaceae
Coreopsis fasciculata	Coreopsis	Asteraceae
Craspidospermum verticillatum	Craspidospermum	Apocynaceae
Cornus officinalis	Cornus	Cornaceae
Cerinthe minor	Cerinthe	Boraginaceae
Trilisa odoratissima	Trilisa	Asteraceae
Ixeris stolonifera	Ixeris	Asteraceae
Cephalaria grossheimii	Cephalaria	Caprifoliaceae
Selinum carvifolium	Selinum	Apiaceae
Lotus japonicus	Lotus	Fabaceae
Melaleuca rhaphiophylla	Melaleuca	Myrtaceae
Narcissus concolor	Narcissus	Amaryllidaceae
Hypericum mysorense	Hypericum	Hypericaceae
Senecio renardii	Senecio	Asteraceae
Hypericum ascyron	Hypericum	Hypericaceae
Aristolochia zollingeriana	Aristolochia	Aristolochiaceae
Chrysothamnus parryi	Chrysothamnus	Asteraceae
Thuja plicata	Thuja	Cupressaceae
Mentha gattefossei	Mentha	Lamiaceae
Bartramia pomiformis	Bartramia	Bartramiaceae
Felicia wrightii	Felicia	Asteraceae
Magnolia biloba	Magnolia	Magnoliaceae
Helichrysum cymosum	Helichrysum	Asteraceae
Litsea lancifolia	Litsea	Lauraceae
Leontopodium nanum	Leontopodium	Asteraceae
Larix decidua	Larix	Pinaceae
Aspidosperma olivaceum	Aspidosperma	Apocynaceae
Strophanthus preussii	Strophanthus	Apocynaceae
Agrostis epigeios	Agrostis	Poaceae
Meryta lanceolata	Meryta	Araliaceae
Crepis foetida	Crepis	Asteraceae
Cirsium japonicum	Cirsium	Asteraceae
Dorstenia lindeniana	Dorstenia	Moraceae
Dioscoreophyllum cumminsii	Dioscoreophyllum	Menispermaceae
Phytolacca acinosa	Phytolacca	Phytolaccaceae
Garcinia hombroniana	Garcinia	Clusiaceae
Cardiospermum halicacabum	Cardiospermum	Sapindaceae
Aglaia elaeagnoidea	Aglaia	Meliaceae
Ehretia dicksonii	Ehretia	Ehretiaceae
Punica granatum	Punica	Lythraceae
Urtica triangularis	Urtica	Urticaceae
Pouzolzia occidentalis	Pouzolzia	Urticaceae
Centaurea nigrescens	Centaurea	Asteraceae
Piper arboreum	Piper	Piperaceae
Parastrephia lepidophylla	Parastrephia	Asteraceae
Phlogacanthus thyrsiflorus	Phlogacanthus	Acanthaceae
Euphorbia segetalis	Euphorbia	Euphorbiaceae
Sidastrum acuminatum	Sidastrum	Malvaceae
Syncolostemon parviflorus	Syncolostemon	Lamiaceae
Paeonia suffruticosa	Paeonia	Paeoniaceae
Aristolochia elegans	Aristolochia	Aristolochiaceae
Clematis tangutica	Clematis	Ranunculaceae
Penstemon secundiflorus	Penstemon	Plantaginaceae
Cuphea carthagenensis	Cuphea	Lythraceae
Ozoroa insignis	Ozoroa	Anacardiaceae
Ruta microcarpa	Ruta	Rutaceae
Crinum defixum	Crinum	Amaryllidaceae
Cynoglossum germanicum	Cynoglossum	Boraginaceae
Litsea zeylanica	Litsea	Lauraceae
Zanthoxylum monophyllum	Zanthoxylum	Rutaceae
Centaurea squarrosa	Centaurea	Asteraceae
Litsea rotundifolia	Litsea	Lauraceae
Senna siamea	Senna	Fabaceae
Virola multinervia	Virola	Myristicaceae
Leonurus sibiricus	Leonurus	Lamiaceae
Cordylanthus kingii	Cordylanthus	Orobanchaceae
Artemisia carvifolia	Artemisia	Asteraceae
Annona impressivenia	Annona	Annonaceae
Alseodaphne corneri	Alseodaphne	Lauraceae
Thymus piperella	Thymus	Lamiaceae
Forsteronia refracta	Forsteronia	Apocynaceae
Eragrostis viscosa	Eragrostis	Poaceae
Plectranthus fruticosus	Plectranthus	Lamiaceae
Nauclea officinalis	Nauclea	Rubiaceae
Holocarpha obconica	Holocarpha	Asteraceae
Grewia mollis	Grewia	Malvaceae
Astragalus gummifer	Astragalus	Fabaceae
Heterotheca grandiflora	Heterotheca	Asteraceae
Croton cumingii	Croton	Euphorbiaceae
Bersama yangambiensis	Bersama	Melianthaceae
Ruta pinnata	Ruta	Rutaceae
Zanthoxylum americanum	Zanthoxylum	Rutaceae
Disynaphia halimifolia	Disynaphia	Asteraceae
Kaunia saltensis	Kaunia	Asteraceae
Carya tonkinensis	Carya	Juglandaceae
Heliotropium floridum	Heliotropium	Heliotropiaceae
Castanopsis sclerophylla	Castanopsis	Fagaceae
Gymnocarpium robertianum	Gymnocarpium	Cystopteridaceae
Oncoba echinata	Oncoba	Salicaceae
Salvia dorrii	Salvia	Lamiaceae
Juglans nigra	Juglans	Juglandaceae
Teucrium depressum	Teucrium	Lamiaceae
Mangifera indica	Mangifera	Anacardiaceae
Aconitum nevadense	Aconitum	Ranunculaceae
Trichilia rubescens	Trichilia	Meliaceae
Conocephalum japonicum	Conocephalum	Conocephalaceae
Bupleurum chinense	Bupleurum	Apiaceae
Hovenia acerba	Hovenia	Rhamnaceae
Stevia polycephala	Stevia	Asteraceae
Plantago indica	Plantago	Plantaginaceae
Triglochin maritima	Triglochin	Juncaginaceae
Sophora angustifolia	Sophora	Fabaceae
Kaempferia marginata	Kaempferia	Zingiberaceae
Argusia argentea	Argusia	Heliotropiaceae
Cephalaria uralensis	Cephalaria	Caprifoliaceae
Balanophora involucrata	Balanophora	Balanophoraceae
Fridericia chica	Fridericia	Bignoniaceae
Lupinus verbasciformis	Lupinus	Fabaceae
Geranium sylvaticum	Geranium	Geraniaceae
Doodia picta	Doodia	Blechnaceae
Toxicodendron vernicifluum	Toxicodendron	Anacardiaceae
Haplophyllum ferganicum	Haplophyllum	Rutaceae
Callicarpa maingayi	Callicarpa	Lamiaceae
Crotalaria aegyptiaca	Crotalaria	Fabaceae
Euphorbia humifusa	Euphorbia	Euphorbiaceae
Aglaia laxiflora	Aglaia	Meliaceae
Aframomum amaniense	Aframomum	Zingiberaceae
Phedimus kamtschaticus	Phedimus	Crassulaceae
Khaya senegalensis	Khaya	Meliaceae
Dicoma capensis	Dicoma	Asteraceae
Nama hispidum	Nama	Namaceae
Digitalis isabelliana	Digitalis	Plantaginaceae
Scopolia hladnikiana	Scopolia	Solanaceae
Beilschmiedia anacardioides	Beilschmiedia	Lauraceae
Sonchus ortunoi	Sonchus	Asteraceae
Pteris radiata	Pteris	Pteridaceae
Styrax ferrugineus	Styrax	Styracaceae
Vincetoxicum hirundinaria	Vincetoxicum	Apocynaceae
Euphorbia turczaninowii	Euphorbia	Euphorbiaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC104222	C41H32O26	Pentagalloyl Glucose	940.12	-7.5719	3.11	0.697	11	15	444.18	31	6	67	3
NPC110396	C8H8O4	2,6-Dimethoxyquinone	168.04	-0.8026	1.9	0.252	4	0	52.6	4	1	12	0
NPC125935	C30H50O2	(3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol	442.3810808	2.3729	4.54	9.165	2	2	40.46	1	5	32	1
NPC131002	C35H64O6	Corossoline	580.47	-8.1153	4.65	10.114	6	3	96.22	31	2	41	2
NPC142753	C35H60O6	(3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol	576.4389896	-0.4469	4.65	10.487	6	4	99.38	9	5	41	1
NPC147066	C30H46O3		454.3446953	3.9216	4.43	8.259	3	1	54.37	13	4	33	1
NPC158371	C30H48O5	Euscaphic Acid	488.35	0.822	4.21	5.966	5	4	97.99	12	5	35	1
NPC188203	C16H12O7	2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-8-Methoxychromen-4-One	316.06	-2.3966	2.45	0.589	1	4	116.45	7	3	23	0
NPC225240	C30H50O2	(3S,6aR,6bS,8aS,11R,12S,12aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol	442.3810808	1.2749	4.54	9.261	2	2	40.46	1	5	32	1
NPC241536	C32H30N2O4	(2-benzamido-3-phenylpropyl) (2S)-2-benzamido-3-phenylpropanoate	506.2205574	-0.4375	4.32	12.585	6	2	91.48	12	4	38	2
NPC2421	C36H58O11	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2S,4aS,6aR,6aS,6bR,8aR,9R,10S,11S,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate	666.3979127	-2.1731	4.21	3.957	11	8	197.37	5	6	47	2
NPC24332	C30H48O5	(1R,2S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-2,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	488.3501746	0.822	4.21	6.177	5	4	97.99	1	5	35	1
NPC250288	C22H34O7		410.2304534	-1.2999	3.11	0.693	7	3	105.45	2	4	29	0
NPC254848	C15H10O5	3,8-dihydroxy-6-methyl-9,10-dioxoanthracen-1-olate	269.0449984	-1.6003	2.56	0.664	2	2	97.66	0	3	20	0
NPC255463	C30H48O4	10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid	472.35526	1.2611	4.32	8.142	4	3	77.76	1	5	34	1
NPC263334	C13H20O3	(4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one	224.1412445	0.7559	2.56	0.644	3	2	57.53	2	1	16	0
NPC266573	C28H30N2O4	[(2R)-2-[[[(2S)-2-benzamido-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate	458.2205574	-0.525	3.88	10.179	6	2	91.48	12	3	34	2
NPC271138	C36H58O11		666.3979127	-2.1731	4.21	3.957	11	8	197.37	19	6	47	2
NPC271586	C12H12N2O3	(E)-N'-(2-phenylacetyl)but-2-enediamide	232.0847922	-0.6437	2.23	3.468	5	3	93.74	5	1	17	0
NPC275463	C21H20O12	4-[5,7-dihydroxy-4-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenolate	463.087651	-5.2259	2.45	-0.354	7	7	209.43	4	4	33	1
NPC277400	C30H48O3	(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid	456.3603454	2.3495	4.43	9.407	3	2	57.53	2	5	33	1
NPC301583	C14H28O2	tetradecanoate	227.2011051	-3.9995	2.78	5.951	2	0	40.13	12	0	16	2
NPC307220	C32H66O	dotriacontan-1-ol	466.5113667	-9.0374	4.87	16.783	1	1	20.23	30	0	33	2
NPC312929	C16H12O5	Physcion	284.07	-0.858	2.67	1.183	2	2	83.83	5	3	21	0
NPC3224	C15H12O4	1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione	256.07	-0.4584	2.67	0.487	3	2	74.6	3	3	19	0
NPC70622	C15H10O5	Aloe-Emodin	270.05	-1.8969	2.56	0.284	3	3	94.83	4	3	20	0
NPC71074	C30H48O4	Corosolic Acid	472.36	1.2611	4.32	8.142	4	3	77.76	11	5	34	1

Download Data

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