CMAUP Plant Ingredients

32 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.

7 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC90014
Formula: C15H20O3

Common Name	n.a.
IUPAC Name	(3aR,4aR,8aR,9aR)-4a-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Canonical SMILES	O=C1O[C@H]2[C@@H](C1=C)C[C@@]1([C@](C2)(C)CCCC1=C)O
Standard InCHI	InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-12-11(7-15(9,14)17)10(2)13(16)18-12/h11-12,17H,1-2,4-8H2,3H3/t11-,12-,14-,15-/m1/s1
Standard InCHIKey	LIDPBIULZNRIJE-QHSBEEBCSA-N
Ingredient External Links	PubChem CID: 12443309 ZINC ID: ZINC000029133928
Plant-Ingredient Association Reference	Database: NPASS [NPC90014]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Inula helenium	Inula	Asteraceae
Carpesium faberi	Carpesium	Asteraceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC72823
Formula: C59H48ClN7O19

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@@H]1N=C(O)[C@H]2N=C(O)[C@@H](c3cc(c4c1cc(O)cc4O)c(O)cc3)N=C(O)[C@@H]1N=C(O)[C@@H]3N=C(O)[C@H](N=C(O)[C@H](N)c4cc(Oc5cc3c(Cl)c(c5)O)c(O)cc4)[C@H](O)c3ccc(Oc4cc1cc(Oc1ccc([C@@H]2O)cc1)c4O)cc3
Standard InCHI	InChI=1S/C59H48ClN7O19/c1-83-59(82)47-32-18-27(68)19-36(71)41(32)31-14-25(7-12-34(31)69)44-54(77)67-49(58(81)65-47)51(74)23-4-10-29(11-5-23)85-40-17-26-16-39(52(40)75)84-28-8-2-22(3-9-28)50(73)48-57(80)64-46(56(79)63-45(26)55(78)62-44)33-20-30(21-37(72)42(33)60)86-38-15-24(6-13-35(38)70)43(61)53(76)66-48/h2-21,43-51,68-75H,61H2,1H3,(H,62,78)(H,63,79)(H,64,80)(H,65,81)(H,66,76)(H,67,77)/t43-,44-,45-,46-,47-,48-,49+,50-,51+/m1/s1
Standard InCHIKey	RXKCHPQFBWGDEU-UYRRIVOBSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD167454]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC69989
Formula: C22H20O10

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(=O)oc(c1)[C@H]1[C@@]2(O)[C@H](O)[C@H]3C[C@]1(O)[C@]([C@H]2C(=O)c1ccccc1)(O)C(=O)O3
Standard InCHI	InChI=1S/C22H20O10/c1-30-11-7-12(31-14(23)8-11)16-20(27)9-13-18(25)21(16,28)17(22(20,29)19(26)32-13)15(24)10-5-3-2-4-6-10/h2-8,13,16-18,25,27-29H,9H2,1H3/t13-,16-,17+,18-,20-,21+,22-/m1/s1
Standard InCHIKey	CTBBEXWJRAPJIZ-VHPBLNRZSA-N
Ingredient External Links	PubChem CID: 23654446
Plant-Ingredient Association Reference	Database: UNPD [UNPD163367]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC59031
Formula: C15H20O4

Common Name	n.a.
IUPAC Name	(3aR,4aS,6S,8R,8aR,9aR)-6,8-dihydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Canonical SMILES	O[C@H]1C[C@@H](O)[C@]2([C@H](C1=C)C[C@H]1[C@@H](C2)OC(=O)C1=C)C
Standard InCHI	InChI=1S/C15H20O4/c1-7-9-4-10-8(2)11(16)5-13(17)15(10,3)6-12(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11+,12-,13-,15-/m1/s1
Standard InCHIKey	ZEIYNPAINVEWGP-NQHOMTGGSA-N
Ingredient External Links	PubChem CID: 442254 ZINC ID: ZINC000004098119
Plant-Ingredient Association Reference	Database: TCMID [8981]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC56593
Formula: C15H22O3

Common Name	Pseudoguaianolide
IUPAC Name	(3aS,5R,5aS,8S,8aS,9aR)-8-hydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
Canonical SMILES	C=C1C(=O)O[C@@H]2[C@@H]1C[C@]1(C)[C@@H](O)CC[C@H]1[C@@H](C2)C
Standard InCHI	InChI=1S/C15H22O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13+,15+/m1/s1
Standard InCHIKey	BOPADYWRUULRBD-MBICNOSFSA-N
Ingredient External Links	PubChem CID: 10399864 ChEMBL ID: CHEMBL1165514
Plant-Ingredient Association Reference	PMID: 26316467 Database: NPASS [NPC56593]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Carpesium faberi	Carpesium	Asteraceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC47946
Formula: C12H20O2

Common Name	Geranyl Acetate
IUPAC Name	[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
Canonical SMILES	C/C(=CCOC(=O)C)/CCC=C(C)C
Standard InCHI	InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
Standard InCHIKey	HIGQPQRQIQDZMP-DHZHZOJOSA-N
Ingredient External Links	PubChem CID: 1549026 ZINC ID: ZINC000001531610 ChEMBL ID: CHEMBL1369384
Plant-Ingredient Association Reference	Database: NPASS [NPC47946]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Citrus unshiu	Citrus	Rutaceae
Artemisia montana	Artemisia	Asteraceae
Artemisia capillaris	Artemisia	Asteraceae
Piper cubeba	Piper	Piperaceae
Latua pubiflora	Latua	Solanaceae
Rudbeckia hirta	Rudbeckia	Asteraceae
Thymus quinquecostatus	Thymus	Lamiaceae
Frullania brittoniae	Frullania	Frullaniaceae
Magnolia liliiflora	Magnolia	Magnoliaceae
Fragaria indica	Fragaria	Rosaceae
Houttuynia cordata	Houttuynia	Saururaceae
Vitex negundo	Vitex	Lamiaceae
Blepharis sindica	Blepharis	Acanthaceae
Sinopodophyllum emodi	Sinopodophyllum	Berberidaceae
Amomum tsao-ko	Amomum	Zingiberaceae
Phebalium gracile	Phebalium	Rutaceae
Rosa rugosa	Rosa	Rosaceae
Saracha viscosa	Saracha	Solanaceae
Boswellia carterii	Boswellia	Burseraceae
Solanum toxicarum	Solanum	Solanaceae
Citrus medica	Citrus	Rutaceae
Daucus carota	Daucus	Apiaceae
Murraya kwangsiensis	Murraya	Rutaceae
Vitis vinifera	Vitis	Vitaceae
Ephedra herba	Ephedra	Ephedraceae
Bidens andicola	Bidens	Asteraceae
Agrimonia pilosa	Agrimonia	Rosaceae
Mosla chinensis	Mosla	Lamiaceae
Curcuma phaeocaulis	Curcuma	Zingiberaceae
Ligularia hodgsonii	Ligularia	Asteraceae
Artemisia scoparia	Artemisia	Asteraceae
Ligusticum sinense	Ligusticum	Apiaceae
Thymus vulgaris	Thymus	Lamiaceae
Zingiber officinale	Zingiber	Zingiberaceae
Eupatorium fortunei	Eupatorium	Asteraceae
Elsholtzia ciliata	Elsholtzia	Lamiaceae
Curcuma kwangsiensis	Curcuma	Zingiberaceae
Lobelia st	Lobelia	Campanulaceae
Elsholtzia splendens	Elsholtzia	Lamiaceae
Curcuma longa	Curcuma	Zingiberaceae
Artemisia princeps	Artemisia	Asteraceae
Citrus reticulata	Citrus	Rutaceae
Bunium paucifolium	Bunium	Apiaceae
Curcuma wenyujin	Curcuma	Zingiberaceae
Carpesium abrotanoides	Carpesium	Asteraceae
Citrus maxima	Citrus	Rutaceae
Pinus densiflora var. densiflora	Pinus	Pinaceae
Artemisia argyi	Artemisia	Asteraceae
Litsea cubeba	Litsea	Lauraceae
Origanum vulgare	Origanum	Lamiaceae
Magnolia liliflora	Magnolia	Magnoliaceae
Ligusticum chuanxiong	Ligusticum	Apiaceae
Artemisia capillaries	Artemisia	Asteraceae
Citrus limon	Citrus	Rutaceae
Amomum neoaurantiacum	Amomum	Zingiberaceae
Allium victorialis	Allium	Amaryllidaceae
Lindera aggregata	Lindera	Lauraceae
Zanthoxylum bungeanum	Zanthoxylum	Rutaceae
Rhododendron tomentosum	Rhododendron	Ericaceae
Ligularia stenocephala	Ligularia	Asteraceae
Artemisia klotzchiana	Artemisia	Asteraceae
Citrus aurantium	Citrus	Rutaceae
Elettaria cardamomum	Elettaria	Zingiberaceae
Magnolia officinalis rehd et wils	Magnolia	Magnoliaceae
Zanthoxylum schinifolium	Zanthoxylum	Rutaceae
Remijia pedunculata	Remijia	Rubiaceae

Ingredient ID: NPC473155
Formula: C29H42O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C[C@@H](CC[C@H]1[C@H]2[C@@H]1C[C@@H]1[C@H](C2)[C@]2(C[C@@H]([C@@]3([C@H]2C[C@H]2[C@@H](C3)OC(=O)C2=C)C)CCC(O)C)C(=O)O1)O
Standard InCHI	InChI=1S/C29H42O6/c1-14(30)5-7-17-12-29(25-11-19-16(3)26(32)34-24(19)13-28(17,25)4)22-9-20-18(8-6-15(2)31)21(20)10-23(22)35-27(29)33/h14-15,17-25,30-31H,3,5-13H2,1-2,4H3/t14?,15-,17-,18-,19+,20-,21+,22-,23+,24+,25+,28+,29-/m0/s1
Standard InCHIKey	HDHAFLPMEFZPKI-SYNCWSQBSA-N
Ingredient External Links	ChEMBL ID: CHEMBL3623292
Plant-Ingredient Association Reference	PMID: 26316467 Database: NPASS [NPC473155]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC470012
Formula: C16H24O3

Common Name	Carabrol
IUPAC Name	(3aR,4aS,5S,5aR,6aR)-5-[(3S)-3-hydroxybutyl]-4a,5a-dimethyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopropa[f][1]benzofuran-2-one
Canonical SMILES	C[C@@H](CC[C@@H]1[C@@]2([C@@]1(C)C[C@H]1[C@@H](C2)OC(=O)C1=C)C)O
Standard InCHI	InChI=1S/C16H24O3/c1-9(17)5-6-13-15(3)7-11-10(2)14(18)19-12(11)8-16(13,15)4/h9,11-13,17H,2,5-8H2,1,3-4H3/t9-,11+,12+,13-,15-,16+/m0/s1
Standard InCHIKey	FDFBRCKWUMZDTG-AYWPFRTFSA-N
Ingredient External Links	PubChem CID: 53323204 ChEMBL ID: CHEMBL1644101
Plant-Ingredient Association Reference	PMID: 26316467 Database: NPASS [NPC470012]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Carpesium faberi	Carpesium	Asteraceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC45718
Formula: C9H13N3O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)c1[nH]nc(c1O)C(=O)N
Standard InCHI	InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)/t2-,5-,7+,8-/m1/s1
Standard InCHIKey	XESARGFCSKSFID-JLDHAVMKSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD130624]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC36646
Formula: C26H30O10

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C1OCC23C(C1)OC([C@H]2C(=O)[C@@H]([C@@]1(C3CC(O)C2([C@]31O[C@@H]3C(=O)OC2c1ccoc1)C)C)O)(C)C
Standard InCHI	InChI=1S/C26H30O10/c1-22(2)17-16(29)18(30)23(3)12(25(17)10-33-15(28)8-14(25)35-22)7-13(27)24(4)19(11-5-6-32-9-11)34-21(31)20-26(23,24)36-20/h5-6,9,12-14,17-20,27,30H,7-8,10H2,1-4H3/t12?,13?,14?,17-,18+,19?,20-,23+,24?,25?,26+/m1/s1
Standard InCHIKey	WJANVVGCUPXSCW-OYKVYJKRSA-N
Ingredient External Links	PubChem CID: 5317834
Plant-Ingredient Association Reference	Database: TCMID [25631]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC308445
Formula: C40H52N8O12S

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CSCC[C@H](C(=N[C@@H]([C@@H](N(C(=O)[C@@H]1N[C@@H](C)c2c(C1)cc(cc2)O)C)C)C(=N/C=C1/C[C@H]([C@@H](O1)N1CCC(=NC1=O)O)O)O)O)N=C(N[C@H](C(=O)O)Cc1cccc(c1)O)O
Standard InCHI	InChI=1S/C40H52N8O12S/c1-20-27-9-8-25(50)16-23(27)17-29(42-20)36(55)47(3)21(2)33(35(54)41-19-26-18-31(51)37(60-26)48-12-10-32(52)45-40(48)59)46-34(53)28(11-13-61-4)43-39(58)44-30(38(56)57)15-22-6-5-7-24(49)14-22/h5-9,14,16,19-21,28-31,33,37,42,49-51H,10-13,15,17-18H2,1-4H3,(H,41,54)(H,46,53)(H,56,57)(H2,43,44,58)(H,45,52,59)/b26-19-/t20-,21-,28+,29+,30-,31+,33-,37+/m0/s1
Standard InCHIKey	AZGANZVUWUCOGH-ZABKPZAWSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD98907]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC305327
Formula: C15H24

Common Name	n.a.
IUPAC Name	(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
Canonical SMILES	CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C
Standard InCHI	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
Standard InCHIKey	USDOQCCMRDNVAH-KKUMJFAQSA-N
Ingredient External Links	PubChem CID: 10657
Plant-Ingredient Association Reference	Database: TCMID [40454] Database: TCM_Taiwan

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia capillaris	Artemisia	Asteraceae
Coptis japonica	Coptis	Ranunculaceae
Dacryodes normandii	Dacryodes	Burseraceae
Riccia fluitans	Riccia	Ricciaceae
Bupleurum scorzonerifolium	Bupleurum	Apiaceae
Magnolia denudata	Magnolia	Magnoliaceae
Magnolia salicifolia	Magnolia	Magnoliaceae
Angelica sinensis	Angelica	Apiaceae
Valeriana officinalis	Valeriana	Caprifoliaceae
Curcuma phaeocaulis	Curcuma	Zingiberaceae
Magnolia biondii	Magnolia	Magnoliaceae
Magnolia kobus	Magnolia	Magnoliaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Zingiber officinale	Zingiber	Zingiberaceae
Chrysanthemum indicum	Chrysanthemum	Asteraceae
Coptis deltoidea	Coptis	Ranunculaceae
Curcuma kwangsiensis	Curcuma	Zingiberaceae
Alpinia officinarum	Alpinia	Zingiberaceae
Magnolia sprengeri	Magnolia	Magnoliaceae
Eriobotrya japonica	Eriobotrya	Rosaceae
Curcuma wenyujin	Curcuma	Zingiberaceae
Carpesium abrotanoides	Carpesium	Asteraceae
Artemisia annua	Artemisia	Asteraceae
Piper betle	Piper	Piperaceae
Podocarpus macrophyllus	Podocarpus	Podocarpaceae
Artemisia argyi	Artemisia	Asteraceae
Bowdichia nitida	Bowdichia	Fabaceae
Artemisia coerulescens	Artemisia	Asteraceae
Coptis teeta	Coptis	Ranunculaceae
Bupleurum chinense	Bupleurum	Apiaceae
Bupleurum falcatum	Bupleurum	Apiaceae
Artemisia capillaries	Artemisia	Asteraceae
Amomum neoaurantiacum	Amomum	Zingiberaceae
Coptis chinensis	Coptis	Ranunculaceae
Acorus gramineus	Acorus	Acoraceae
Chamaecyparis pisifera	Chamaecyparis	Cupressaceae
Mulguraea tridens	Junellia	Verbenaceae
Cinnamomum camphora	Cinnamomum	Lauraceae
Curcuma zedoaria	Curcuma	Zingiberaceae
Schisandra chinensis	Schisandra	Schisandraceae
Acorus tatarinowii	Acorus	Acoraceae
Craibiodendron yunnanese	Craibiodendron	Ericaceae

Ingredient ID: NPC304909
Formula: C15H20O3

Common Name	n.a.
IUPAC Name	(3R,3aS,6S,6aS,9aR,9bS)-3,6,9-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione
Canonical SMILES	C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@@H]([C@H]1[C@@H]2C(=CC1=O)C)C
Standard InCHI	InChI=1S/C15H20O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6-7,9-10,12-14H,4-5H2,1-3H3/t7-,9+,10-,12+,13-,14-/m0/s1
Standard InCHIKey	FJKWKEZAHVWIOR-LCPIIMPGSA-N
Ingredient External Links	PubChem CID: 10977807
Plant-Ingredient Association Reference	Database: TCMID [3220]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Carpesium abrotanoides	Carpesium	Asteraceae
Trigonella foenum-graecum	Trigonella	Fabaceae

Ingredient ID: NPC277693
Formula: C20H34O

Common Name	n.a.
IUPAC Name	(1R,2E,4S,7Z,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
Canonical SMILES	C/C/1=C/CC/C(=C/CC[C@@](/C=C/[C@@H](CC1)C(C)C)(C)O)/C
Standard InCHI	InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10+,18-9-/t19-,20-/m1/s1
Standard InCHIKey	YAPXSYXFLHDPCK-TYGHPMQVSA-N
Ingredient External Links	PubChem CID: 12444349
Plant-Ingredient Association Reference	Database: TCMID [11311]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia apiacea	Artemisia	Asteraceae
Pinus koraiensis	Pinus	Pinaceae
Petasites japonicus	Petasites	Asteraceae
Solanum virginianum	Solanum	Solanaceae
Amomum krervanh	Amomum	Zingiberaceae
Humulus lupulus	Humulus	Cannabaceae
Lantana camara	Lantana	Verbenaceae
Lindera glauca	Lindera	Lauraceae
Thymus vulgaris	Thymus	Lamiaceae
Rhododendron dauricum	Rhododendron	Ericaceae
Citrus trifoliata	Citrus	Rutaceae
Achillea millefolium	Achillea	Asteraceae
Nepeta cataria	Nepeta	Lamiaceae
Acorus calamus	Acorus	Acoraceae
Carpesium abrotanoides	Carpesium	Asteraceae
Artemisia annua	Artemisia	Asteraceae
Murraya paniculata	Murraya	Rutaceae
Platycladus orientalis	Platycladus	Cupressaceae
Pogostemon cablin	Pogostemon	Lamiaceae
Agastache rugosus	Agastache	Lamiaceae
Syzygium aromaticum	Syzygium	Myrtaceae
Lindera aggregata	Lindera	Lauraceae
Acorus tatarinowii	Acorus	Acoraceae

Ingredient ID: NPC27056
Formula: C38H40N4O2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C1C=C2CN3CCC45C6C(C(O1)N1c7ccccc7C78C1C1C(N6c6c5cccc6)OCC=C5C1CC8N(CC7)C5)C2CC34
Standard InCHI	InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2
Standard InCHIKey	CIRUUTNLDXXBKU-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5088395
Plant-Ingredient Association Reference	Database: TCMID [3148]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC260488
Formula: C45H84O13

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCC[C@@](OC[C@@]1(C)CC[C@]2(O1)C[C@H](O)[C@H]([C@@H](C2)[C@@H]([C@@H](C(C)C)OC)C)C)(CO[C@@H]([C@H]1O[C@@](O)(CO[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H](C[C@@H]1C)C)CC(C)C)CC
Standard InCHI	InChI=1S/C45H84O13/c1-13-15-43(14-2,55-23-42(11)16-17-44(58-42)20-32(30(9)33(47)21-44)31(10)39(52-12)27(5)6)24-53-34(18-26(3)4)40-28(7)19-29(8)45(51,57-40)25-54-41-38(50)37(49)36(48)35(22-46)56-41/h26-41,46-51H,13-25H2,1-12H3/t28-,29+,30-,31-,32+,33-,34+,35-,36-,37+,38-,39+,40-,41-,42+,43+,44+,45-/m0/s1
Standard InCHIKey	UDJLOBNQKOOLFE-DCIGPNSNSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD149484]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC253056
Formula: C39H48N8O12S

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CSCC[C@H](C(=N[C@@H]([C@@H](N(C(=O)[C@@H]1NCc2c(C1)cc(cc2)O)C)C)C(=N/C=C/1O[C@H]([C@@H](C1)O)n1ccc(nc1=O)O)O)O)N=C(N[C@H](C(=O)O)Cc1cccc(c1)O)O
Standard InCHI	InChI=1S/C39H48N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)8-7-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-11-9-31(51)44-39(47)58)45-33(52)27(10-12-60-3)42-38(57)43-29(37(55)56)14-21-5-4-6-24(48)13-21/h4-9,11,13,15,19-20,27-30,32,36,40,48-50H,10,12,14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19-/t20-,27+,28+,29-,30+,32-,36+/m0/s1
Standard InCHIKey	XWORGFMCZJWEQG-YNMXYGDVSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD123088]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC239039
Formula: C10H16

Common Name	n.a.
IUPAC Name	1-methyl-4-propan-2-ylcyclohexa-1,3-diene
Canonical SMILES	CC1=CC=C(CC1)C(C)C
Standard InCHI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
Standard InCHIKey	YHQGMYUVUMAZJR-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 7462
Plant-Ingredient Association Reference	Database: NPASS [NPC239039]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Citrus unshiu	Citrus	Rutaceae
Liquidambar orientalis	Liquidambar	Altingiaceae
Strophanthus eminii	Strophanthus	Apocynaceae
Artemisia montana	Artemisia	Asteraceae
Sinopodophyllum hexandrum	Sinopodophyllum	Berberidaceae
Moringa oleifera	Moringa	Moringaceae
Artemisia capillaris	Artemisia	Asteraceae
Stevia alpina	Stevia	Asteraceae
Piper cubeba	Piper	Piperaceae
Akebia trifoliata	Akebia	Lardizabalaceae
Angelica gigas	Angelica	Apiaceae
Amomum villosum	Amomum	Zingiberaceae
Illicium difengpi	Illicium	Schisandraceae
Murraya exotica	Murraya	Rutaceae
Amomum krervanh	Amomum	Zingiberaceae
Asarum heterotropoides	Asarum	Aristolochiaceae
Carum carvi	Carum	Apiaceae
Thymus quinquecostatus	Thymus	Lamiaceae
Rhodomyrtus tomentosa	Rhodomyrtus	Myrtaceae
Magnolia liliiflora	Magnolia	Magnoliaceae
Humulus lupulus	Humulus	Cannabaceae
Houttuynia cordata	Houttuynia	Saururaceae
Amomum longiligulare	Amomum	Zingiberaceae
Magnolia denudata	Magnolia	Magnoliaceae
Chromolaena odorata	Chromolaena	Asteraceae
Magnolia salicifolia	Magnolia	Magnoliaceae
Boswellia carterii	Boswellia	Burseraceae
Angelica sinensis	Angelica	Apiaceae
Citrus medica	Citrus	Rutaceae
Daucus carota	Daucus	Apiaceae
Amomum xanthioides	Amomum	Zingiberaceae
Vitis vinifera	Vitis	Vitaceae
Chrysanthemum zawadskii	Chrysanthemum	Asteraceae
Pluchea dioscoridis	Pluchea	Asteraceae
Ilex affinis	Ilex	Aquifoliaceae
Mosla chinensis	Mosla	Lamiaceae
Curcuma phaeocaulis	Curcuma	Zingiberaceae
Liquidambar formosana	Liquidambar	Altingiaceae
Cicuta virosa	Cicuta	Apiaceae
Solanum torvum	Solanum	Solanaceae
Anaxagorea clavata	Anaxagorea	Annonaceae
Magnolia biondii	Magnolia	Magnoliaceae
Ligusticum sinense	Ligusticum	Apiaceae
Magnolia kobus	Magnolia	Magnoliaceae
Thymus vulgaris	Thymus	Lamiaceae
Akebia quinata	Akebia	Lardizabalaceae
Forsythia viridissima	Forsythia	Oleaceae
Palicourea alpina	Palicourea	Rubiaceae
Lupinus formosus	Lupinus	Fabaceae
Wunderlichia mirabilis	Wunderlichia	Asteraceae
Posoqueria latifolia	Posoqueria	Rubiaceae
Dicliptera riparia	Dicliptera	Acanthaceae
Oxandra xylopioides	Oxandra	Annonaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Ilex kaushue	Ilex	Aquifoliaceae
Zingiber officinale	Zingiber	Zingiberaceae
Dalbergia frutescens	Dalbergia	Fabaceae
Colchicum macedonicum	Colchicum	Colchicaceae
Euphorbia caducifolia	Euphorbia	Euphorbiaceae
Stenostomum lucidum	Stenostomum	Rubiaceae
Boronia muelleri	Boronia	Rutaceae
Beyeria brevifolia	Beyeria	Euphorbiaceae
Coprosma acerosa	Coprosma	Rubiaceae
Astilbe koreana	Astilbe	Saxifragaceae
Scrophularia smithii	Scrophularia	Scrophulariaceae
Artemisia dracunculus	Artemisia	Asteraceae
Punica granatum	Punica	Lythraceae
Elsholtzia ciliata	Elsholtzia	Lamiaceae
Forsythia suspensa	Forsythia	Oleaceae
Anethum graveolens	Anethum	Apiaceae
Hypericum papuanum	Hypericum	Hypericaceae
Zilla spinosa	Zilla	Brassicaceae
Cnidium officinale	Cnidium	Apiaceae
Kaunia arbuscularis	Kaunia	Asteraceae
Trifolium pratense	Trifolium	Fabaceae
Kaempferia pulchra	Kaempferia	Zingiberaceae
Sambucus ebulus	Sambucus	Adoxaceae
Chrysanthemum indicum	Chrysanthemum	Asteraceae
Inula thapsoides	Inula	Asteraceae
Pyrola rotundifolia	Pyrola	Ericaceae
Tylophora flava	Tylophora	Apocynaceae
Limeum pterocarpum	Limeum	Limeaceae
Trifolium alexandrium	Trifolium	Fabaceae
Coptis deltoidea	Coptis	Ranunculaceae
Cassia carnaval	Cassia	Fabaceae
Drosera peltata	Drosera	Droseraceae
Curcuma kwangsiensis	Curcuma	Zingiberaceae
Salix sieboldiana	Salix	Salicaceae
Coriandrum sativum	Coriandrum	Apiaceae
Arnica nevadensis	Arnica	Asteraceae
Hansenia weberbaueriana	Hansenia	Apiaceae
Odixia angusta	Odixia	Asteraceae
Prunus laurocerasus	Prunus	Rosaceae
Curcuma longa	Curcuma	Zingiberaceae
Ficus formosana	Ficus	Moraceae
Dipterocarpus alatus	Dipterocarpus	Dipterocarpaceae
Echinops amplexicaulis	Echinops	Asteraceae
Dillenia papuana	Dillenia	Dilleniaceae
Quercus aegilops	Quercus	Fagaceae
Chloranthus tianmushanensis	Chloranthus	Chloranthaceae
Prosopis glandulosa	Prosopis	Fabaceae
Aria pallescens	Aria	Rosaceae
Simira eliezeriana	Simira	Rubiaceae
Senecio squalidus	Senecio	Asteraceae
Araujia sericifera	Araujia	Apocynaceae
Artemisia princeps	Artemisia	Asteraceae
Artemisia monogyna	Artemisia	Asteraceae
Magnolia sprengeri	Magnolia	Magnoliaceae
Epaltes gariepina	Epaltes	Asteraceae
Seriphidium cinum	Seriphidium	Asteraceae
Dendrosenecio kilimanjari	Dendrosenecio	Asteraceae
Isodon kameba	Isodon	Lamiaceae
Pterocarpus grandiflorus	Pterocarpus	Fabaceae
Citrus reticulata	Citrus	Rutaceae
Chromolaena pulchella	Chromolaena	Asteraceae
Bursaria spinosa	Bursaria	Pittosporaceae
Taxodium mucronatum	Taxodium	Cupressaceae
Gardenia fosbergii	Gardenia	Rubiaceae
Vitex madiensis	Vitex	Lamiaceae
Saussurea costus	Saussurea	Asteraceae
Agnorhiza bolanderi	Agnorhiza	Asteraceae
Curcuma wenyujin	Curcuma	Zingiberaceae
Carpesium abrotanoides	Carpesium	Asteraceae
Murraya paniculata	Murraya	Rutaceae
Citrus maxima	Citrus	Rutaceae
Platycladus orientalis	Platycladus	Cupressaceae
Senna alexandrina	Senna	Fabaceae
Artemisia argyi	Artemisia	Asteraceae
Foeniculum vulgare	Foeniculum	Apiaceae
Sesbania punicea	Sesbania	Fabaceae
Laggera pterodonta	Laggera	Asteraceae
Piper nigrum	Piper	Piperaceae
Amomum compactum	Amomum	Zingiberaceae
Valeriana jatamansi	Valeriana	Caprifoliaceae
Litsea cubeba	Litsea	Lauraceae
Angelica acutiloba	Angelica	Apiaceae
Cranfillia vulcanica	Cranfillia	Blechnaceae
Chrysanthemum morifolium	Chrysanthemum	Asteraceae
Magnolia liliflora	Magnolia	Magnoliaceae
Ligusticum chuanxiong	Ligusticum	Apiaceae
Amomum neoaurantiacum	Amomum	Zingiberaceae
Ferula fukanensis	Ferula	Apiaceae
Syzygium aromaticum	Syzygium	Myrtaceae
Asterolasia squamuligera	Asterolasia	Rutaceae
Hypericum perforatum	Hypericum	Hypericaceae
Tanacetum santolinoides	Tanacetum	Asteraceae
Persicaria thunbergii	Persicaria	Polygonaceae
Alpinia galanga	Alpinia	Zingiberaceae
Catha edulis	Catha	Celastraceae
Myristica fragrans	Myristica	Myristicaceae
Zanthoxylum bungeanum	Zanthoxylum	Rutaceae
Cinnamomum tenuifolium	Cinnamomum	Lauraceae
Catharanthus roseus	Catharanthus	Apocynaceae
Salvia officinalis	Salvia	Lamiaceae
Asarum sieboldii	Asarum	Aristolochiaceae
Securidaca inappendiculata	Securidaca	Polygalaceae
Salvia xalapensis	Salvia	Lamiaceae
Citrus aurantium	Citrus	Rutaceae
Pteris prolifera	Pteris	Pteridaceae
Cannabis sativa	Cannabis	Cannabaceae
Elettaria cardamomum	Elettaria	Zingiberaceae
Schisandra chinensis	Schisandra	Schisandraceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae
Magnolia officinalis rehd et wils	Magnolia	Magnoliaceae
Citrus junos	Citrus	Rutaceae
Ficus elastica	Ficus	Moraceae
Zanthoxylum schinifolium	Zanthoxylum	Rutaceae

Ingredient ID: NPC219011
Formula: C16H22O3

Common Name	Carabrone
IUPAC Name	(3aR,4aS,5S,5aR,6aR)-4a,5a-dimethyl-3-methylidene-5-(3-oxobutyl)-4,5,6,6a-tetrahydro-3aH-cyclopropa[f][1]benzofuran-2-one
Canonical SMILES	CC(=O)CC[C@@H]1[C@@]2([C@@]1(C)C[C@H]1[C@@H](C2)OC(=O)C1=C)C
Standard InCHI	InChI=1S/C16H22O3/c1-9(17)5-6-13-15(3)7-11-10(2)14(18)19-12(11)8-16(13,15)4/h11-13H,2,5-8H2,1,3-4H3/t11-,12-,13+,15+,16-/m1/s1
Standard InCHIKey	UUCCDEBLQHHCHQ-XYTFPVCRSA-N
Ingredient External Links	PubChem CID: 53319263 ChEMBL ID: CHEMBL1644102
Plant-Ingredient Association Reference	Database: NPASS [NPC219011]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Capsicum annuum	Capsicum	Solanaceae
Arnica longifolia	Arnica	Asteraceae
Carpesium faberi	Carpesium	Asteraceae
Carpesium abrotanoides	Carpesium	Asteraceae
Lilium pumilum	Lilium	Liliaceae

Ingredient ID: NPC216092
Formula: C21H22O4

Common Name	9-[(2E)-3,7-Dimethylocta-2,6-Dienoxy]Furo[3,2-G]Chromen-7-One
IUPAC Name	9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Canonical SMILES	C/C(=CCOc1c2occc2cc2c1oc(=O)cc2)/CCC=C(C)C
Standard InCHI	InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
Standard InCHIKey	SOVNCTNQAWWYAQ-OQLLNIDSSA-N
Ingredient External Links	PubChem CID: 5317564 ZINC ID: ZINC000002529828 ChEMBL ID: CHEMBL1412710
Plant-Ingredient Association Reference	Database: NPASS [NPC216092]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia capillaris	Artemisia	Asteraceae
Pleurospermum rivulorum	Pleurospermum	Apiaceae
Rosa rugosa	Rosa	Rosaceae
Citrus medica	Citrus	Rutaceae
Artemisia scoparia	Artemisia	Asteraceae
Zingiber officinale	Zingiber	Zingiberaceae
Angelica dahurica	Angelica	Apiaceae
Carpesium abrotanoides	Carpesium	Asteraceae
Origanum vulgare	Origanum	Lamiaceae
Citrus limon	Citrus	Rutaceae
Angelica officinalis	Angelica	Apiaceae
Glehnia littoralis	Glehnia	Apiaceae

Ingredient ID: NPC206142
Formula: C40H50N8O12S

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CSCC[C@H](C(=N[C@@H]([C@@H](N(C(=O)[C@H]1N[C@@H](C)c2c(C1)cc(cc2)O)C)C)C(=N/C=C/1O[C@@H]([C@@H](C1)O)n1ccc(nc1=O)O)O)O)N=C(N[C@H](C(=O)O)Cc1cccc(c1)O)O
Standard InCHI	InChI=1S/C40H50N8O12S/c1-20-27-9-8-25(50)16-23(27)17-29(42-20)36(55)47(3)21(2)33(35(54)41-19-26-18-31(51)37(60-26)48-12-10-32(52)45-40(48)59)46-34(53)28(11-13-61-4)43-39(58)44-30(38(56)57)15-22-6-5-7-24(49)14-22/h5-10,12,14,16,19-21,28-31,33,37,42,49-51H,11,13,15,17-18H2,1-4H3,(H,41,54)(H,46,53)(H,56,57)(H2,43,44,58)(H,45,52,59)/b26-19-/t20-,21-,28+,29-,30-,31+,33-,37-/m0/s1
Standard InCHIKey	UTIFRWPUJPPZEZ-ULYYURGISA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD51429]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC205551
Formula: C7H15NO3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1O[C@H](C)[C@H]([C@@](C1)(C)N)O
Standard InCHI	InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6-,7+/m1/s1
Standard InCHIKey	OIJZDPGKNVKVBL-UCROKIRRSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD90294]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC203486
Formula: C37H54O4

Common Name	n.a.
IUPAC Name	[(3S,4S,5S,9R,10R,13R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
Canonical SMILES	CC[C@@H](C(C)C)C[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC(=O)[C@@H]2[C@]1(C)CC[C@@H]([C@H]2C)OC(=O)c1ccccc1)C)O
Standard InCHI	InChI=1S/C37H54O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,21-25,28-31,33-34,38H,8,14-20H2,1-7H3/t23-,24+,25+,28+,29-,30-,31+,33-,34+,36+,37+/m0/s1
Standard InCHIKey	PQWWCRLPWBAFIP-PRQOAQHDSA-N
Ingredient External Links	PubChem CID: 21155918
Plant-Ingredient Association Reference	Database: NPASS [NPC203486]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Solanum virginianum	Solanum	Solanaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC202189
Formula: C15H24

Common Name	n.a.
IUPAC Name	(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
Canonical SMILES	CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1
Standard InCHI	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
Standard InCHIKey	FUCYIEXQVQJBKY-ZFWWWQNUSA-N
Ingredient External Links	PubChem CID: 441005
Plant-Ingredient Association Reference	Database: NPASS [NPC202189]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Liquidambar orientalis	Liquidambar	Altingiaceae
Artemisia montana	Artemisia	Asteraceae
Passiflora incarnata	Passiflora	Passifloraceae
Tristania conferta	Tristania	Myrtaceae
Plectranthus myrianthus	Plectranthus	Lamiaceae
Pentaclethra macrophylla	Pentaclethra	Fabaceae
Artemisia capillaris	Artemisia	Asteraceae
Veronica polita	Veronica	Plantaginaceae
Alstonia muelleriana	Alstonia	Apocynaceae
Glycosmis macrophylla	Glycosmis	Rutaceae
Dacrydium cupressinum	Dacrydium	Podocarpaceae
Stephania zippeliana	Stephania	Menispermaceae
Latua pubiflora	Latua	Solanaceae
Eucalyptus apodophylla	Eucalyptus	Myrtaceae
Hypericum polyanthemum	Hypericum	Hypericaceae
Distephanus angulifolius	Distephanus	Asteraceae
Rudbeckia hirta	Rudbeckia	Asteraceae
Trigonella grandiflora	Trigonella	Fabaceae
Periploca sepium	Periploca	Apocynaceae
Campylotropis hirtella	Campylotropis	Fabaceae
Nicotiana undulata	Nicotiana	Solanaceae
Strychnos tomentosa	Strychnos	Loganiaceae
Frullania brittoniae	Frullania	Frullaniaceae
Fragaria indica	Fragaria	Rosaceae
Artemisia cina	Artemisia	Asteraceae
Blepharis sindica	Blepharis	Acanthaceae
Sinopodophyllum emodi	Sinopodophyllum	Berberidaceae
Bupleurum scorzonerifolium	Bupleurum	Apiaceae
Phebalium gracile	Phebalium	Rutaceae
Saracha viscosa	Saracha	Solanaceae
Solanum toxicarum	Solanum	Solanaceae
Ephedra herba	Ephedra	Ephedraceae
Valeriana officinalis	Valeriana	Caprifoliaceae
Mosla chinensis	Mosla	Lamiaceae
Breonia chinensis	Breonia	Rubiaceae
Tripolium pannonicum	Tripolium	Asteraceae
Melia azedarach	Melia	Meliaceae
Coreopsis nodosa	Coreopsis	Asteraceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Uvaria calamistrata	Uvaria	Annonaceae
Panax notoginseng	Panax	Araliaceae
Ficus carica	Ficus	Moraceae
Chrysanthemum indicum	Chrysanthemum	Asteraceae
Bombax ceiba	Bombax	Malvaceae
Haematococcus lacustris	Haematococcus	Haematococcaceae
Mentha cardiaca	Mentha	Lamiaceae
Rhodiola semenovii	Rhodiola	Crassulaceae
Lobelia st	Lobelia	Campanulaceae
Grazielia serrata	Grazielia	Asteraceae
Alpinia officinarum	Alpinia	Zingiberaceae
Hansenia weberbaueriana	Hansenia	Apiaceae
Hansenia forbesii	Hansenia	Apiaceae
Artemisia princeps	Artemisia	Asteraceae
Citrus reticulata	Citrus	Rutaceae
Abrus pulchellus	Abrus	Fabaceae
Erysimum odoratum	Erysimum	Brassicaceae
Heterotheca inuloides	Heterotheca	Asteraceae
Delphinium andersoni	Delphinium	Ranunculaceae
Vaccinium vitis-idaea	Vaccinium	Ericaceae
Vismia jefensis	Vismia	Hypericaceae
Angelica tarokoensis	Angelica	Apiaceae
Swertia delavayi	Swertia	Gentianaceae
Epimedium davidii	Epimedium	Berberidaceae
Globba malaccensis	Globba	Zingiberaceae
Diphasia angolensis	Diphasia	Rutaceae
Knightia excelsa	Knightia	Proteaceae
Isodon japonicus	Isodon	Lamiaceae
Solanum acaule	Solanum	Solanaceae
Carpesium abrotanoides	Carpesium	Asteraceae
Frullania tamarisci	Frullania	Frullaniaceae
Alangium premnifolium	Alangium	Cornaceae
Saussurea carthamoides	Saussurea	Asteraceae
Galenia africana	Galenia	Aizoaceae
Micromeria pineolens	Micromeria	Lamiaceae
Gnidia lamprantha	Gnidia	Thymelaeaceae
Artemisia annua	Artemisia	Asteraceae
Ilex amara	Ilex	Aquifoliaceae
Leonurus glaucescens	Leonurus	Lamiaceae
Piper betle	Piper	Piperaceae
Salacia madagascariensis	Salacia	Celastraceae
Maba buxifolia	Maba	Ebenaceae
Podocarpus macrophyllus	Podocarpus	Podocarpaceae
Pinus densiflora var. densiflora	Pinus	Pinaceae
Platycladus orientalis	Platycladus	Cupressaceae
Artemisia argyi	Artemisia	Asteraceae
Quercus sessiliflora	Quercus	Fagaceae
Panax ginseng	Panax	Araliaceae
Bupleurum chinense	Bupleurum	Apiaceae
Ostericum grosseserratum	Ostericum	Apiaceae
Bupleurum falcatum	Bupleurum	Apiaceae
Ligusticum chuanxiong	Ligusticum	Apiaceae
Allium victorialis	Allium	Amaryllidaceae
Crotalaria candicans	Crotalaria	Fabaceae
Syzygium aromaticum	Syzygium	Myrtaceae
Hypericum perforatum	Hypericum	Hypericaceae
Eria japonica	Eria	Orchidaceae
Glycine tomentella	Glycine	Fabaceae
Salvia sessei	Salvia	Lamiaceae
Juniperus drupacea	Juniperus	Cupressaceae
Lepidium draba	Lepidium	Brassicaceae
Rhododendron tomentosum	Rhododendron	Ericaceae
Eupatorium fortunei turcz	Eupatorium	Asteraceae
Ceropegia dichotoma	Ceropegia	Apocynaceae
Ononis spinosa	Ononis	Fabaceae
Panax schinseng	Panax	Araliaceae
Schisandra sphenanthera	Schisandra	Schisandraceae
Crinum moorei	Crinum	Amaryllidaceae
Eucalyptus globulus subsp. bicostata	Eucalyptus	Myrtaceae
Senecio paludaffinis	Senecio	Asteraceae
Schisandra chinensis	Schisandra	Schisandraceae
Dendrobium loddigesii	Dendrobium	Orchidaceae
Zanthoxylum schinifolium	Zanthoxylum	Rutaceae
Remijia pedunculata	Remijia	Rubiaceae
Gypsophila perfoliata	Gypsophila	Caryophyllaceae
Craibiodendron yunnanese	Craibiodendron	Ericaceae
Pterocaulon virgatum	Pterocaulon	Asteraceae
Vernonia cistifolia	Vernonia	Asteraceae
Sonneratia caseolaris	Sonneratia	Lythraceae

Ingredient ID: NPC196776
Formula: C30H50

Common Name	n.a.
IUPAC Name	(3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Canonical SMILES	CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@@]1(C)CC[C@H](C2)C)C
Standard InCHI	InChI=1S/C30H50/c1-8-23(20(2)3)10-9-22(5)26-13-14-27-25-12-11-24-19-21(4)15-17-29(24,6)28(25)16-18-30(26,27)7/h9-11,20-23,25-28H,8,12-19H2,1-7H3/b10-9+/t21-,22-,23+,25-,26-,27-,28-,29-,30-/m1/s1
Standard InCHIKey	GYDIPQRLDOTECG-PYURGGGNSA-N
Ingredient External Links	PubChem CID: 50930798
Plant-Ingredient Association Reference	Database: TCMID [20353]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Lindera obtusiloba	Lindera	Lauraceae
Paederia scandens	Paederia	Rubiaceae
Gossypium herbaceum	Gossypium	Malvaceae
Asparagus cochinchinensis	Asparagus	Asparagaceae
Eleutherococcus sessiliflorus	Eleutherococcus	Araliaceae
Amomum villosum	Amomum	Zingiberaceae
Dodonaea viscosa	Dodonaea	Sapindaceae
Euphorbia royleana	Euphorbia	Euphorbiaceae
Rhodomyrtus tomentosa	Rhodomyrtus	Myrtaceae
Sinomenium acutum	Sinomenium	Menispermaceae
Changium smyrnioides	Changium	Apiaceae
Gynura segetum	Gynura	Asteraceae
Cryptotaenia japonica	Cryptotaenia	Apiaceae
Aquilaria sinensis	Aquilaria	Thymelaeaceae
Dioscorea collettii var. hypoglauca	Dioscorea	Dioscoreaceae
Hippophae rhamnoides	Hippophae	Elaeagnaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Angelica sinensis	Angelica	Apiaceae
Oldenlandia diffusa	Oldenlandia	Rubiaceae
Zea mays	Zea	Poaceae
Goniothalamus amuyon	Goniothalamus	Annonaceae
Scleropyrum wallichianum	Scleropyrum	Cervantesiaceae
Palhinhaea cernua	Palhinhaea	Lycopodiaceae
Rubia yunnanensis	Rubia	Rubiaceae
Codonopsis pilosula	Codonopsis	Campanulaceae
Isodon amethystoides	Isodon	Lamiaceae
Xanthium sibiricum	Xanthium	Asteraceae
Dioscorea septemloba	Dioscorea	Dioscoreaceae
Lycium chinense	Lycium	Solanaceae
Diospyros kaki	Diospyros	Ebenaceae
Aristolochia manshuriensis	Aristolochia	Aristolochiaceae
Arundo donax	Arundo	Poaceae
Alstonia scholaris	Alstonia	Apocynaceae
Loropetalum chinense	Loropetalum	Hamamelidaceae
Citrus tankan	Citrus	Rutaceae
Tadehagi triquetrum	Tadehagi	Fabaceae
Akebia quinata	Akebia	Lardizabalaceae
Artemisia anomala	Artemisia	Asteraceae
Cirsium japonicum	Cirsium	Asteraceae
Psychotria serpens	Psychotria	Rubiaceae
Gleditsia sinensis	Gleditsia	Fabaceae
Ulmus parvifolia	Ulmus	Ulmaceae
Patrinia scabiosifolia	Patrinia	Caprifoliaceae
Plantago major	Plantago	Plantaginaceae
Polygala arillata	Polygala	Polygalaceae
Manihot esculenta	Manihot	Euphorbiaceae
Trichosanthes kirilowii	Trichosanthes	Cucurbitaceae
Solanum nigrum	Solanum	Solanaceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Physostigma venenosum	Physostigma	Fabaceae
Ageratum conyzoides	Ageratum	Asteraceae
Microcos paniculata	Microcos	Malvaceae
Lactuca indica	Lactuca	Asteraceae
Ventilago leiocarpa	Ventilago	Rhamnaceae
Drynaria fortunei	Drynaria	Polypodiaceae
Paeonia veitchii	Paeonia	Paeoniaceae
Lycopodium japonicum	Lycopodium	Lycopodiaceae
Dioscorea polystachya	Dioscorea	Dioscoreaceae
Achillea millefolium	Achillea	Asteraceae
Arachis hypogaea	Arachis	Fabaceae
Saussurea costus	Saussurea	Asteraceae
Ginkgo biloba	Ginkgo	Ginkgoaceae
Carpesium abrotanoides	Carpesium	Asteraceae
Sorghum bicolor	Sorghum	Poaceae
Artemisia annua	Artemisia	Asteraceae
Taraxacum officinale	Taraxacum	Asteraceae
Atalantia buxifolia	Atalantia	Rutaceae
Artemisia argyi	Artemisia	Asteraceae
Foeniculum vulgare	Foeniculum	Apiaceae
Oroxylum indicum	Oroxylum	Bignoniaceae
Abrus precatorius	Abrus	Fabaceae
Corydalis remota	Corydalis	Papaveraceae
Cullen corylifolium	Cullen	Fabaceae
Scutellaria baicalensis	Scutellaria	Lamiaceae
Panax ginseng	Panax	Araliaceae
Bupleurum chinense	Bupleurum	Apiaceae
Rubia wallichiana	Rubia	Rubiaceae
Swertia hickinii	Swertia	Gentianaceae
Plantago asiatica	Plantago	Plantaginaceae
Melia indica	Melia	Meliaceae
Gynochthodes umbellata	Gynochthodes	Rubiaceae
Piper kadsura	Piper	Piperaceae
Phaseolus vulgaris	Phaseolus	Fabaceae
Hibiscus taiwanensis	Hibiscus	Malvaceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Cocos nucifera	Cocos	Arecaceae
Tylophora ovata	Tylophora	Apocynaceae
Mimosa pudica	Mimosa	Fabaceae
Glycine max	Glycine	Fabaceae
Commelina communis	Commelina	Commelinaceae
Rehmannia glutinosa	Rehmannia	Orobanchaceae
Oryza sativa	Oryza	Poaceae
Glehnia littoralis	Glehnia	Apiaceae
Centipeda minima	Centipeda	Asteraceae
Ophiopogon japonicus	Ophiopogon	Asparagaceae
Papaver somniferum	Papaver	Papaveraceae
Gardenia jasminoides	Gardenia	Rubiaceae
Crinum asiaticum	Crinum	Amaryllidaceae

Ingredient ID: NPC178638
Formula: C11H18O2

Common Name	n.a.
IUPAC Name	[(1E)-2,6-dimethylhepta-1,5-dienyl] acetate
Canonical SMILES	C/C(=COC(=O)C)/CCC=C(C)C
Standard InCHI	InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-13-11(4)12/h6,8H,5,7H2,1-4H3/b10-8+
Standard InCHIKey	FMFCRRDJQXJLBD-CSKARUKUSA-N
Ingredient External Links	PubChem CID: 24832062
Plant-Ingredient Association Reference	Database: TCMID [41128]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia capillaris	Artemisia	Asteraceae
Illicium difengpi	Illicium	Schisandraceae
Changium smyrnioides	Changium	Apiaceae
Magnolia liliiflora	Magnolia	Magnoliaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Rosa rugosa	Rosa	Rosaceae
Citrus medica	Citrus	Rutaceae
Murraya kwangsiensis	Murraya	Rutaceae
Erodium stephanianum	Erodium	Geraniaceae
Artemisia scoparia	Artemisia	Asteraceae
Codium fragile	Codium	Codiaceae
Zingiber officinale	Zingiber	Zingiberaceae
Eupatorium fortunei	Eupatorium	Asteraceae
Elsholtzia ciliata	Elsholtzia	Lamiaceae
Rhodiola crenulata	Rhodiola	Crassulaceae
Ficus carica	Ficus	Moraceae
Carpesium abrotanoides	Carpesium	Asteraceae
Murraya paniculata	Murraya	Rutaceae
Origanum vulgare	Origanum	Lamiaceae
Bupleurum chinense	Bupleurum	Apiaceae
Laurus nobilis	Laurus	Lauraceae
Citrus limon	Citrus	Rutaceae
Allium sativum	Allium	Amaryllidaceae
Schisandra chinensis	Schisandra	Schisandraceae

Ingredient ID: NPC175074
Formula: C39H50N8O12S

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CSCC[C@H](C(=N[C@@H]([C@@H](N(C(=O)[C@H]1NCc2c(C1)cc(cc2)O)C)C)C(=N/C=C1/C[C@H]([C@H](O1)N1CCC(=NC1=O)O)O)O)O)N=C(N[C@H](C(=O)O)Cc1cccc(c1)O)O
Standard InCHI	InChI=1S/C39H50N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)8-7-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-11-9-31(51)44-39(47)58)45-33(52)27(10-12-60-3)42-38(57)43-29(37(55)56)14-21-5-4-6-24(48)13-21/h4-8,13,15,19-20,27-30,32,36,40,48-50H,9-12,14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19-/t20-,27+,28-,29-,30+,32-,36-/m0/s1
Standard InCHIKey	MFEPAAMYDYMBSN-FLXOHRQISA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD69764]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC138647
Formula: C15H20O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C1O[C@@H]2[C@@H](C1=C)C[C@H]1O[C@]1(C)CC[C@@H]1[C@](C2)(C)O1
Standard InCHI	InChI=1S/C15H20O4/c1-8-9-6-12-14(2,19-12)5-4-11-15(3,18-11)7-10(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3/t9-,10+,11-,12-,14-,15-/m1/s1
Standard InCHIKey	SSZZFAJCDFWCJW-JCJKHTMNSA-N
Ingredient External Links	ChEMBL ID: CHEMBL3623293
Plant-Ingredient Association Reference	PMID: 26316467 Database: NPASS [NPC138647]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC12452
Formula: C9H13N3O6

Common Name	n.a.
IUPAC Name	5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-pyrazole-3-carboxamide
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1[nH]nc(c1O)C(=O)N
Standard InCHI	InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)/t2-,5-,7-,8+/m1/s1
Standard InCHIKey	XESARGFCSKSFID-FLLFQEBCSA-N
Ingredient External Links	PubChem CID: 35595
Plant-Ingredient Association Reference	Database: UNPD [UNPD10622]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Ingredient ID: NPC122398
Formula: C18H30N8O8

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	N=CNCC(=O)N([C@H]1[C@@H](O[C@H]([C@@H]([C@@H]1O)OC(=N)O)CO)NC1=N[C@H]2[C@H](N1)C(=O)N(C[C@H]2O)C)C
Standard InCHI	InChI=1S/C18H30N8O8/c1-25-4-7(28)10-11(16(25)31)23-18(22-10)24-15-12(26(2)9(29)3-21-6-19)13(30)14(34-17(20)32)8(5-27)33-15/h6-8,10-15,27-28,30H,3-5H2,1-2H3,(H2,19,21)(H2,20,32)(H2,22,23,24)/t7-,8+,10-,11+,12-,13-,14+,15-/m1/s1
Standard InCHIKey	VMULEITVZASJMA-MAPXQVSGSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD77620]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Simmondsia chinensis	Simmondsia	Simmondsiaceae
Carpesium abrotanoides	Carpesium	Asteraceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC122398	C18H30N8O8		486.2186599	-3.7638	1.68	-3.024	16	9	236.15	10	3	34	2
NPC12452	C9H13N3O6		259.0804351	-3.2405	1.46	-1.176	9	7	161.92	3	2	18	1
NPC138647	C15H20O4		264.14	0.4433	2.67	1.645	4	0	51.36	2	4	19	0
NPC175074	C39H50N8O12S		854.32689	-4.5555		0.815	20	10		0	5	60	0
NPC178638	C11H18O2	[(1E)-2,6-dimethylhepta-1,5-dienyl] acetate	182.1306798	2.1862	2.45	2.68	2	0	26.3	5	0	13	0
NPC196776	C30H50	(3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene	410.3912516	2.7031	4.76	13.664	0	0	0	5	4	30	1
NPC202189	C15H24		204.1878008	2.2115	3.11	5.46	0	0	0	5	2	15	1
NPC203486	C37H54O4		562.4	0.5092	5.09	11.387	4	1	63.6	17	5	41	1
NPC205551	C7H15NO3		161.1051933	-1.8753	1.79	-0.472	4	4	75.71	0	1	11	0
NPC206142	C40H50N8O12S		866.32689	-4.7725		1.56	20	10		0	5	61	0
NPC216092	C21H22O4	9-[(2E)-3,7-Dimethylocta-2,6-Dienoxy]Furo[3,2-G]Chromen-7-One	338.15	2.7618	3.33	4.713	1	0	48.67	9	3	25	0
NPC219011	C16H22O3	Carabrone	262.16	0.8979	2.89	3.03	3	0	43.37	6	3	19	0
NPC239039	C10H16		136.1252005	1.8841	2.56	3.546	0	0	0	4	1	10	0
NPC253056	C39H48N8O12S		852.31124	-4.7618		1.1	20	10		0	5	60	0
NPC260488	C45H84O13		832.5911927	-2.0553		5.936	13	6		0	4	58	0
NPC27056	C38H40N4O2		584.3151265		4.98	4.498	6	0	31.42	0	13	44	0
NPC277693	C20H34O	(1R,2E,4S,7Z,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol	290.2609657	3.4045	3.55	6.414	1	1	20.23	1	1	21	1
NPC304909	C15H20O3	(3R,3aS,6S,6aS,9aR,9bS)-3,6,9-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione	248.1412445	0.8565	2.78	1.835	3	0	43.37	0	3	18	0
NPC305327	C15H24	(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene	204.1878008	2.2008	3.11	5.901	0	0	0	1	2	15	1
NPC308445	C40H52N8O12S		868.3425401	-4.5662		1.275	20	10		0	5	61	0
NPC36646	C26H30O10		502.1838972	-1.7841	3.22	0.262	10	2	145.03	1	7	36	0
NPC45718	C9H13N3O6		259.0804351	-3.2405	1.46	-1.176	9	7	161.92	3	2	18	1
NPC470012	C16H24O3	Carabrol	264.17	0.3696	2.89	3.334	3	1	46.53	7	3	19	0
NPC473155	C29H42O6		486.3	-2.0558	3.99	4.324	6	2	93.06	11	6	35	0
NPC47946	C12H20O2	Geranyl Acetate	196.15	2.7188	2.56	3.264	2	0	26.3	10	0	14	0
NPC56593	C15H22O3	Pseudoguaianolide	250.16	0.4693	2.78	2.306	3	1	46.53	3	3	18	0
NPC59031	C15H20O4		264.1361591	-0.4671	2.67	0.41	4	2	66.76	0	3	19	0
NPC69989	C22H20O10		444.1056468	-3.2826	2.78	1.681	10	4	159.82	4	5	32	0
NPC72823	C59H48ClN7O19		1193.26935			-1.002	26	16		0	0	86	0
NPC90014	C15H20O3		248.1412445	0.0648	2.78	1.468	3	1	46.53	2	3	18	0

Download Data

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