CMAUP Plant Ingredients

15 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: NPC76916
Formula: C15H18O4

Common Name	n.a.
IUPAC Name	(3R,3aS,4aR,8aS,9aR)-3-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione
Canonical SMILES	O=C1C=C[C@]2([C@H](C1=C)C[C@H]1[C@@H](C2)OC(=O)[C@]1(C)O)C
Standard InCHI	InChI=1S/C15H18O4/c1-8-9-6-10-12(19-13(17)15(10,3)18)7-14(9,2)5-4-11(8)16/h4-5,9-10,12,18H,1,6-7H2,2-3H3/t9-,10-,12+,14+,15+/m0/s1
Standard InCHIKey	CYMAWWCMMZZOTB-KJMJJSJTSA-N
Ingredient External Links	PubChem CID: 442240
Plant-Ingredient Association Reference	Database: UNPD [UNPD37217]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Myroxylon pereirae	Myroxylon	Fabaceae

Ingredient ID: NPC73995
Formula: C15H16O3

Common Name	Encelin
IUPAC Name	(3aR,4aR,8aS,9aR)-8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione
Canonical SMILES	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)C=CC(=O)C1=C
Standard InCHI	InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3/t10-,11+,13-,15-/m1/s1
Standard InCHIKey	LXMUZMFQJGRVFW-NDPMZMCLSA-N
Ingredient External Links	PubChem CID: 72540 ZINC ID: ZINC000004098063 ChEMBL ID: CHEMBL512400
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC73995]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Espeletia moritziana	Espeletia	Asteraceae
Vernonia leopoldi	Vernonia	Asteraceae
Brachylaena ramiflora	Brachylaena	Asteraceae
Kielmeyera albopunctata	Kielmeyera	Calophyllaceae
Nuxia oppositifolia	Nuxia	Stilbaceae
Asplenium septentrionale	Asplenium	Aspleniaceae
Colliguaja salicifolia	Colliguaja	Euphorbiaceae
Myroxylon pereirae	Myroxylon	Fabaceae
Achillea tuzsonii	Achillea	Asteraceae

Ingredient ID: NPC67893
Formula: C15H20O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CO[C@@H](c1cc2C=CC(Oc2cc1OC)(C)C)C
Standard InCHI	InChI=1S/C15H20O3/c1-10(16-4)12-8-11-6-7-15(2,3)18-13(11)9-14(12)17-5/h6-10H,1-5H3/t10-/m1/s1
Standard InCHIKey	KIDINSSIUWCEBX-SNVBAGLBSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD135900]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Myroxylon pereirae	Myroxylon	Fabaceae

Ingredient ID: NPC229646
Formula: C14H16O3

Common Name	n.a.
IUPAC Name	1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone
Canonical SMILES	COc1cc2OC(C)(C)C=Cc2cc1C(=O)C
Standard InCHI	InChI=1S/C14H16O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-8H,1-4H3
Standard InCHIKey	WXVLCNREBFDEKS-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 114703 ZINC ID: ZINC000000897924
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC229646]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Plumbago indica	Plumbago	Plumbaginaceae
Codonopsis pilosula	Codonopsis	Campanulaceae
Panax quinquefolius	Panax	Araliaceae
Sorghum bicolor	Sorghum	Poaceae
Eupatorium glandulosum	Eupatorium	Asteraceae
Bupleurum chinense	Bupleurum	Apiaceae
Codonopsis radix	Codonopsis	Campanulaceae
Myroxylon pereirae	Myroxylon	Fabaceae

Ingredient ID: NPC206800
Formula: C9H8O2

Common Name	Cinnamic Acid
IUPAC Name	(E)-3-phenylprop-2-enoic acid
Canonical SMILES	OC(=O)/C=C/c1ccccc1
Standard InCHI	InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
Standard InCHIKey	WBYWAXJHAXSJNI-VOTSOKGWSA-N
Ingredient External Links	PubChem CID: 444539 ChEMBL ID: CHEMBL27246
Plant-Ingredient Association Reference	Database: NPASS [NPC206800]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Mitracarpus scaber	Mitracarpus	Rubiaceae
Citrus unshiu	Citrus	Rutaceae
Liquidambar orientalis	Liquidambar	Altingiaceae
Bletilla striata	Bletilla	Orchidaceae
Styrax benzoin	Styrax	Styracaceae
Aloe vera	Aloe	Xanthorrhoeaceae
Sauromatum giganteum	Sauromatum	Araceae
Styrax tonkinensis	Styrax	Styracaceae
Callicarpa macrophylla	Callicarpa	Lamiaceae
Mentha canadensis	Mentha	Lamiaceae
Aloe ferox	Aloe	Asphodelaceae
Scrophularia nodosa	Scrophularia	Scrophulariaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Scutellaria barbata	Scutellaria	Lamiaceae
Morus bombycis	Morus	Moraceae
Ephedra herba	Ephedra	Ephedraceae
Selaginella doederleinii hieron	Selaginella	Selaginellaceae
Xanthium sibiricum	Xanthium	Asteraceae
Lycium chinense	Lycium	Solanaceae
Saussurea involucrata	Saussurea	Asteraceae
Rubus coreanus	Rubus	Rosaceae
Boschniakia rossica	Boschniakia	Orobanchaceae
Styrax	Styrax	Styracaceae
Gymnacranthera paniculata	Gymnacranthera	Myristicaceae
Zingiber officinale	Zingiber	Zingiberaceae
Rheum officinale	Rheum	Polygonaceae
Rhododendron dauricum	Rhododendron	Ericaceae
Plantago major	Plantago	Plantaginaceae
Anastatica hierochuntica	Anastatica	Brassicaceae
Platycodon grandiflorus	Platycodon	Campanulaceae
Anagallis monelli	Anagallis	Primulaceae
Mentha arvensis	Mentha	Lamiaceae
Imperata cylindrica	Imperata	Poaceae
Jatropha curcas	Jatropha	Euphorbiaceae
Xanthium strumarium	Xanthium	Asteraceae
Rheum coreanum	Rheum	Polygonaceae
Citrus reticulata	Citrus	Rutaceae
Euphorbia micractina	Euphorbia	Euphorbiaceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Rubus chingii	Rubus	Rosaceae
Eliokarmos thyrsoides	Eliokarmos	Hyacinthaceae
Rheum palmatum	Rheum	Polygonaceae
Ephedra equisetina	Ephedra	Ephedraceae
Morus alba	Morus	Moraceae
Foeniculum vulgare	Foeniculum	Apiaceae
Aloe spicata	Aloe	Asphodelaceae
Phyllanthus emblica	Phyllanthus	Phyllanthaceae
Piper sarmentosum	Piper	Piperaceae
Aloe	Aloe	Asphodelaceae
Aloe africana	Aloe	Xanthorrhoeaceae
Cinnamomum cassia	Cinnamomum	Lauraceae
Nelumbo nucifera	Nelumbo	Nelumbonaceae
Rheum maximowiczii	Rheum	Polygonaceae
Chaenomeles speciosa	Chaenomeles	Rosaceae
Scrophularia ningpoensis	Scrophularia	Scrophulariaceae
Aconitum koreanum	Aconitum	Ranunculaceae
Campsis flos	Campsis	Bignoniaceae
Harpagophytum procumbens	Harpagophytum	Pedaliaceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Myroxylon pereirae	Myroxylon	Fabaceae
Scrophularia buergeriana	Scrophularia	Scrophulariaceae
Pseudostellaria heterophylla	Pseudostellaria	Caryophyllaceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae
Rheum tanguticum	Rheum	Polygonaceae
Rehmannia glutinosa	Rehmannia	Orobanchaceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae

Ingredient ID: NPC201054
Formula: C13H14O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(c1cc2c(o1)cc(c(c2)C(=O)C)O)C
Standard InCHI	InChI=1S/C13H14O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4-7,15H,1-3H3
Standard InCHIKey	AGCTVCFSNYYNGJ-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD121020]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Myroxylon pereirae	Myroxylon	Fabaceae

Ingredient ID: NPC196052
Formula: C14H16O2

Common Name	n.a.
IUPAC Name	6-ethenyl-7-methoxy-2,2-dimethylchromene
Canonical SMILES	COc1cc2OC(C)(C)C=Cc2cc1C=C
Standard InCHI	InChI=1S/C14H16O2/c1-5-10-8-11-6-7-14(2,3)16-13(11)9-12(10)15-4/h5-9H,1H2,2-4H3
Standard InCHIKey	RRUFTPKJXNXMAE-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 188454
Plant-Ingredient Association Reference	Database: UNPD [UNPD184611]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Myroxylon pereirae	Myroxylon	Fabaceae

Ingredient ID: NPC157208
Formula: C15H22O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C=C1[C@H](O)CC[C@]2([C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@]1(C)O)C
Standard InCHI	InChI=1S/C15H22O4/c1-8-9-6-10-12(19-13(17)15(10,3)18)7-14(9,2)5-4-11(8)16/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10-,11+,12+,14+,15+/m0/s1
Standard InCHIKey	CUSVNXHUOAFDTF-IDMWBNCISA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD52624]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Myroxylon pereirae	Myroxylon	Fabaceae

Ingredient ID: NPC151113
Formula: C13H14O3

Common Name	Demethylencecalin
IUPAC Name	1-(7-hydroxy-2,2-dimethylchromen-6-yl)ethanone
Canonical SMILES	CC(=O)c1cc2C=CC(Oc2cc1O)(C)C
Standard InCHI	InChI=1S/C13H14O3/c1-8(14)10-6-9-4-5-13(2,3)16-12(9)7-11(10)15/h4-7,15H,1-3H3
Standard InCHIKey	SVUVYHFYZBCYRF-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 100768 ZINC ID: ZINC000000897926 ChEMBL ID: CHEMBL443462
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC151113]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Eupatorium semiserratum	Eupatorium	Asteraceae
Pyrrosia davidii	Pyrrosia	Polypodiaceae
Orthosiphon stamineus	Orthosiphon	Lamiaceae
Sorghum bicolor	Sorghum	Poaceae
Eupatorium riparium	Eupatorium	Asteraceae
Myroxylon pereirae	Myroxylon	Fabaceae

Ingredient ID: NPC120529
Formula: C10H10O3

Common Name	n.a.
IUPAC Name	5-acetyl-2-methoxybenzaldehyde
Canonical SMILES	O=Cc1cc(ccc1OC)C(=O)C
Standard InCHI	InChI=1S/C10H10O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-6H,1-2H3
Standard InCHIKey	WGQVKYPDHREEJU-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 288758
Plant-Ingredient Association Reference	Database: UNPD [UNPD150684]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Myroxylon pereirae	Myroxylon	Fabaceae

Ingredient ID: NPC120454
Formula: C9H10O

Common Name	n.a.
IUPAC Name	(E)-1,1-dideuterio-3-phenylprop-2-en-1-ol
Canonical SMILES	C([2H])(/C=C/c1ccccc1)(O)[2H]
Standard InCHI	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+/i8D2
Standard InCHIKey	OOCCDEMITAIZTP-LJSJBYNUSA-N
Ingredient External Links	PubChem CID: 10534709
Plant-Ingredient Association Reference	Database: TCMID [30783]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Liquidambar orientalis	Liquidambar	Altingiaceae
Neopicrorhiza scrophulariiflora	Neopicrorhiza	Plantaginaceae
Lycium chinense	Lycium	Solanaceae
Plantago major	Plantago	Plantaginaceae
Ephedra equisetina	Ephedra	Ephedraceae
Foeniculum vulgare	Foeniculum	Apiaceae
Myroxylon pereirae	Myroxylon	Fabaceae
Rehmannia glutinosa	Rehmannia	Orobanchaceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae

Ingredient ID: NPC119631
Formula: C16H14O2

Common Name	Benzyl Cinnamate
IUPAC Name	benzyl (E)-3-phenylprop-2-enoate
Canonical SMILES	O=C(/C=C/c1ccccc1)OCc1ccccc1
Standard InCHI	InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
Standard InCHIKey	NGHOLYJTSCBCGC-VAWYXSNFSA-N
Ingredient External Links	PubChem CID: 5273469 ZINC ID: ZINC000012358883 ChEMBL ID: CHEMBL361197
Plant-Ingredient Association Reference	Database: NPASS [NPC119631]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Garcinia cambogia	Garcinia	Clusiaceae
Styrax benzoin	Styrax	Styracaceae
Eugenia exsucca	Eugenia	Myrtaceae
Petasites laevigatus	Petasites	Asteraceae
Sphaeranthus confertifolius	Sphaeranthus	Asteraceae
Cornus officinalis	Cornus	Cornaceae
Styrax tonkinensis	Styrax	Styracaceae
Ornithoglossum viride	Ornithoglossum	Colchicaceae
Schizanthus tricolor	Schizanthus	Solanaceae
Anodendron affine	Anodendron	Apocynaceae
Hertia cheirifolia	Hertia	Asteraceae
Cedrela salvadorensis	Cedrela	Meliaceae
Anemone coronaria	Anemone	Ranunculaceae
Astroloma humifusum	Astroloma	Ericaceae
Asplenium ruprechtii	Asplenium	Aspleniaceae
Styrax	Styrax	Styracaceae
Rubia tetragona	Rubia	Rubiaceae
Myroxylon pereirae	Myroxylon	Fabaceae
Ormosia hosiei	Ormosia	Fabaceae
Licaria chrysophylla	Licaria	Lauraceae

Ingredient ID: NPC118343
Formula: C14H12O2

Common Name	Benzyl Benzoate
IUPAC Name	benzyl benzoate
Canonical SMILES	O=C(c1ccccc1)OCc1ccccc1
Standard InCHI	InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
Standard InCHIKey	SESFRYSPDFLNCH-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 2345 ZINC ID: ZINC000000001021 ChEMBL ID: CHEMBL1239
Plant-Ingredient Association Reference	Database: NPASS [NPC118343]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Liquidambar orientalis	Liquidambar	Altingiaceae
Piper attenuatum	Piper	Piperaceae
Styrax benzoin	Styrax	Styracaceae
Tetracera alnifolia	Tetracera	Dilleniaceae
Murraya exotica	Murraya	Rutaceae
Artemisia jacutica	Artemisia	Asteraceae
Styrax tonkinensis	Styrax	Styracaceae
Sinapis semen	Sinapis	Brassicaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Bersama abyssinica	Bersama	Melianthaceae
Uvaria acuminata	Uvaria	Annonaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Rosa rugosa	Rosa	Rosaceae
Chamaemelum nobile	Chamaemelum	Asteraceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Aconitum sajanense	Aconitum	Ranunculaceae
Schkuhria multiflora	Schkuhria	Asteraceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Strychnos triplinervia	Strychnos	Loganiaceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Leonurus japonicus	Leonurus	Lamiaceae
Solidago decurrens	Solidago	Asteraceae
Anthocleista grandiflora	Anthocleista	Gentianaceae
Hansenia weberbaueriana	Hansenia	Apiaceae
Helleborus caucasicus	Helleborus	Ranunculaceae
Lespedeza homoloba	Lespedeza	Fabaceae
Lolium perenne	Lolium	Poaceae
Hypoestes serpens	Hypoestes	Acanthaceae
Primula farinosa	Primula	Primulaceae
Cynomorium songaricum	Cynomorium	Cynomoriaceae
Murraya paniculata	Murraya	Rutaceae
Rheedia acuminata	Rheedia	Clusiaceae
Acacia aulacocarpa	Acacia	Fabaceae
Aspidosperma subincanum	Aspidosperma	Apocynaceae
Syzygium aromaticum	Syzygium	Myrtaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Hypericum perforatum	Hypericum	Hypericaceae
Cassia jahnii	Cassia	Fabaceae
Ardisia neriifolia	Ardisia	Primulaceae
Psiadia dentata	Psiadia	Asteraceae
Peritassa compta	Peritassa	Celastraceae
Eupatorium argentinum	Eupatorium	Asteraceae
Cryptocarya aschersoniana	Cryptocarya	Lauraceae
Myroxylon pereirae	Myroxylon	Fabaceae
Juniperus brevifolia	Juniperus	Cupressaceae
Avrainvillea rawsonii	Avrainvillea	Udoteaceae
Guatteria boliviana	Guatteria	Annonaceae
Damnacanthus major	Damnacanthus	Rubiaceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae
Anemone flaccida	Anemone	Ranunculaceae
Stauntonia hexaphylla	Stauntonia	Lardizabalaceae
Rubus sanctus	Rubus	Rosaceae
Rosa multiflora	Rosa	Rosaceae

Ingredient ID: NPC115295
Formula: C16H14O2

Common Name	n.a.
IUPAC Name	benzyl (Z)-3-phenylprop-2-enoate
Canonical SMILES	O=C(/C=Cc1ccccc1)OCc1ccccc1
Standard InCHI	InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11-
Standard InCHIKey	NGHOLYJTSCBCGC-QXMHVHEDSA-N
Ingredient External Links	PubChem CID: 15558051
Plant-Ingredient Association Reference	Database: TCMID [2282]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Styrax benzoin	Styrax	Styracaceae
Cornus officinalis	Cornus	Cornaceae
Styrax tonkinensis	Styrax	Styracaceae
Myroxylon pereirae	Myroxylon	Fabaceae

Ingredient ID: NPC108494
Formula: C15H26O

Common Name	n.a.
IUPAC Name	(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Canonical SMILES	C=CC(CC/C=C(CCC=C(C)C)/C)(O)C
Standard InCHI	InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-
Standard InCHIKey	FQTLCLSUCSAZDY-KAMYIIQDSA-N
Ingredient External Links	PubChem CID: 5320128
Plant-Ingredient Association Reference	Database: NPASS [NPC108494]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Dolomiaea souliei	Dolomiaea	Asteraceae
Artemisia montana	Artemisia	Asteraceae
Artemisia capillaris	Artemisia	Asteraceae
Amomum villosum	Amomum	Zingiberaceae
Murraya exotica	Murraya	Rutaceae
Illicium verum	Illicium	Schisandraceae
Mentha canadensis	Mentha	Lamiaceae
Vitex negundo	Vitex	Lamiaceae
Lobelia chinensis	Lobelia	Campanulaceae
Amomum longiligulare	Amomum	Zingiberaceae
Bupleurum scorzonerifolium	Bupleurum	Apiaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Actaea dahurica	Actaea	Ranunculaceae
Actaea cimicifuga	Actaea	Ranunculaceae
Amomum xanthioides	Amomum	Zingiberaceae
Capsicum annuum	Capsicum	Solanaceae
Elsholtzia bodinieri	Elsholtzia	Lamiaceae
Chrysanthemum zawadskii	Chrysanthemum	Asteraceae
Prunella vulgaris	Prunella	Lamiaceae
Mosla chinensis	Mosla	Lamiaceae
Curcuma phaeocaulis	Curcuma	Zingiberaceae
Dalbergia odorifera	Dalbergia	Fabaceae
Citrus sinensis	Citrus	Rutaceae
Zingiber officinale	Zingiber	Zingiberaceae
Panax quinquefolius	Panax	Araliaceae
Elsholtzia ciliata	Elsholtzia	Lamiaceae
Lindera umbellata	Lindera	Lauraceae
Panax notoginseng	Panax	Araliaceae
Angelica pubescens	Angelica	Apiaceae
Curcuma kwangsiensis	Curcuma	Zingiberaceae
Mentha arvensis	Mentha	Lamiaceae
Curcuma longa	Curcuma	Zingiberaceae
Artemisia princeps	Artemisia	Asteraceae
Eriobotrya japonica	Eriobotrya	Rosaceae
Acorus calamus	Acorus	Acoraceae
Saussurea costus	Saussurea	Asteraceae
Curcuma wenyujin	Curcuma	Zingiberaceae
Ginkgo biloba	Ginkgo	Ginkgoaceae
Murraya paniculata	Murraya	Rutaceae
Actaea simplex	Actaea	Ranunculaceae
Citrus maxima	Citrus	Rutaceae
Valeriana jatamansii	Valeriana	Caprifoliaceae
Senna alexandrina	Senna	Fabaceae
Artemisia argyi	Artemisia	Asteraceae
Foeniculum vulgare	Foeniculum	Apiaceae
Laggera pterodonta	Laggera	Asteraceae
Piper nigrum	Piper	Piperaceae
Panax ginseng	Panax	Araliaceae
Bupleurum chinense	Bupleurum	Apiaceae
Bupleurum falcatum	Bupleurum	Apiaceae
Ferula fukanensis	Ferula	Apiaceae
Hypericum perforatum	Hypericum	Hypericaceae
Lindera aggregata	Lindera	Lauraceae
Zanthoxylum bungeanum	Zanthoxylum	Rutaceae
Myroxylon pereirae	Myroxylon	Fabaceae
Cinnamomum camphora	Cinnamomum	Lauraceae
Citrus aurantium	Citrus	Rutaceae
Elettaria cardamomum	Elettaria	Zingiberaceae
Schisandra chinensis	Schisandra	Schisandraceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae
Perilla frutescens	Perilla	Lamiaceae
Zanthoxylum schinifolium	Zanthoxylum	Rutaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC108494	C15H26O		222.1983655	3.7014	3	4.29	1	1	20.23	12	0	16	0
NPC115295	C16H14O2	benzyl (Z)-3-phenylprop-2-enoate	238.0993797	0.2816	3	7.133	2	0	26.3	5	2	18	1
NPC118343	C14H12O2	Benzyl Benzoate	212.08	-0.0795	2.78	5.895	2	0	26.3	4	2	16	1
NPC119631	C16H14O2	Benzyl Cinnamate	238.1	0.2816	3	7.133	2	0	26.3	5	2	18	1
NPC120454	C9H10O	(E)-1,1-dideuterio-3-phenylprop-2-en-1-ol	134.0731649	0.0191	2.34	3.808	1	1	20.23	2	1	10	0
NPC120529	C10H10O3		178.0629942	-0.4981	2.23	1.505	3	0	43.37	3	1	13	0
NPC151113	C13H14O3	Demethylencecalin	218.09	0.1936	2.56	2.201	1	1	46.53	5	2	16	0
NPC157208	C15H22O4		266.1518092	-0.7116	2.67	1.315	4	2	66.76	0	3	19	0
NPC196052	C14H16O2		216.1150298	1.5635	2.78	3.47	2	0	18.46	2	2	16	0
NPC201054	C13H14O3		218.0942943	-0.2954	2.56	2.555	3	1	50.44	2	2	16	0
NPC206800	C9H8O2	Cinnamic Acid	148.05	0.1213	2.23	3.904	2	1	37.3	3	1	11	0
NPC229646	C14H16O3		232.1099444	0.6021	2.67	2.291	1	0	35.53	6	2	17	0
NPC67893	C15H20O3		248.1412445	0.8051	2.78	2.748	3	0	27.69	3	2	18	0
NPC73995	C15H16O3	Encelin	244.11	0.9396	2.78	1.359	3	0	43.37	1	3	18	0
NPC76916	C15H18O4		262.1205091	0.122	2.67	1.023	4	1	63.6	0	3	19	0

Download Data

All data can be downloaded by:

→ Selecting data type in the below download table
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Data Section	Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)
2. Physico-chemical Properties