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.

11 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC78754
Formula: C21H28O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC1=C(C)[C@@H]2CC(=O)O[C@H]3[C@@]2([C@@H](C1=O)[C@]1(C)[C@@H]([C@H]3O)[C@H](C)C[C@@H](C1=O)O)C
Standard InCHI	InChI=1S/C21H28O7/c1-8-6-11(22)18(26)21(4)13(8)14(24)19-20(3)10(7-12(23)28-19)9(2)16(27-5)15(25)17(20)21/h8,10-11,13-14,17,19,22,24H,6-7H2,1-5H3/t8-,10+,11+,13-,14-,17-,19-,20+,21+/m1/s1
Standard InCHIKey	NPDQLWRTTFHHJN-KHQHHMTESA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD100297]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae

Ingredient ID: NPC66777
Formula: C19H15N3O2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)nc1n(c2=O)CCc2c1[nH]c1c2cccc1
Standard InCHI	InChI=1S/C19H15N3O2/c1-24-11-6-7-14-16(10-11)21-18-17-13(8-9-22(18)19(14)23)12-4-2-3-5-15(12)20-17/h2-7,10,20H,8-9H2,1H3
Standard InCHIKey	JDYVBLKLNUFKBD-UHFFFAOYSA-N
Ingredient External Links	ChEMBL ID: CHEMBL312248
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC66777]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC34770
Formula: C14H13NO4

Common Name	Skimmianine
IUPAC Name	4,7,8-trimethoxyfuro[2,3-b]quinoline
Canonical SMILES	COc1ccc2c(c1OC)nc1c(c2OC)cco1
Standard InCHI	InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
Standard InCHIKey	SLSIBLKBHNKZTB-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 6760 ZINC ID: ZINC000000035525 ChEMBL ID: CHEMBL21396
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC34770]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glycosmis pseudoracemosa	Glycosmis	Rutaceae
Platonia insignis	Platonia	Clusiaceae
Ficus conraui	Ficus	Moraceae
Matricaria suffruticosa	Matricaria	Asteraceae
Dictamnus dasycarpus	Dictamnus	Rutaceae
Corydalis persica	Corydalis	Papaveraceae
Salta triflora	Salta	Polygonaceae
Trapa japonica	Trapa	Lythraceae
Inula grantioides	Inula	Asteraceae
Vernonia chloropappa	Vernonia	Asteraceae
Diospyros peregrina	Diospyros	Ebenaceae
Diospyros elliptifolia	Diospyros	Ebenaceae
Juniperus horizontalis	Juniperus	Cupressaceae
Acronychia laurifolia	Acronychia	Rutaceae
Diospyros abyssinica	Diospyros	Ebenaceae
Cratystylis conocephala	Cratystylis	Asteraceae
Strychnos spinosa	Strychnos	Loganiaceae
Esenbeckia hartmanii	Esenbeckia	Rutaceae
Talipariti tiliaceum	Talipariti	Malvaceae
Centaurea calcitrapa	Centaurea	Asteraceae
Beaucarnea recurvata	Beaucarnea	Asparagaceae
Peperomia pellucida	Peperomia	Piperaceae
Amomum daniellii	Amomum	Zingiberaceae
Aeollanthus buchnerianus	Aeollanthus	Lamiaceae
Hesperocyparis goveniana var. abramsiana	Hesperocyparis	Cupressaceae
Plectranthus caninus	Plectranthus	Lamiaceae
Wedelia prostrata	Wedelia	Asteraceae
Erica glauca	Erica	Ericaceae
Lathyrus tingitanus	Lathyrus	Fabaceae
Echium plantagineum	Echium	Boraginaceae
Rauvolfia salicifolia	Rauvolfia	Apocynaceae
Balanophora japonica	Balanophora	Balanophoraceae
Aconitum volubile	Aconitum	Ranunculaceae
Leucas neufliseana	Leucas	Lamiaceae
Espeletiopsis purpurascens	Espeletiopsis	Asteraceae
Leptospermum recurvum	Leptospermum	Myrtaceae
Cota tinctoria	Cota	Asteraceae
Ipomoea nil	Ipomoea	Convolvulaceae
Pycnarrhena australiana	Pycnarrhena	Menispermaceae
Amomum reticulatum	Amomum	Zingiberaceae
Zanthoxylum planispinum	Zanthoxylum	Rutaceae
Zanthoxylum avicennae	Zanthoxylum	Rutaceae
Hernandia sonora	Hernandia	Hernandiaceae
Helianthus niveus	Helianthus	Asteraceae
Hosta sieboldiana	Hosta	Asparagaceae
Plectranthus hereroensis	Plectranthus	Lamiaceae
Udotea petiolata	Udotea	Udoteaceae
Oricia suaveolens	Oricia	Rutaceae
Melicope semecarpifolia	Melicope	Rutaceae
Cynoglossum viridiflorum	Cynoglossum	Boraginaceae
Citrus trifoliata	Citrus	Rutaceae
Tecoma pentaphylla	Tecoma	Bignoniaceae
Phellodendron chinense	Phellodendron	Rutaceae
Inula salsoloides	Inula	Asteraceae
Eutrochium purpureum	Eutrochium	Asteraceae
Alchornea cordifolia	Alchornea	Euphorbiaceae
Caralluma russeliana	Caralluma	Apocynaceae
Dalbergia monetaria	Dalbergia	Fabaceae
Zanthoxylum ailanthoides	Zanthoxylum	Rutaceae
Ursinia anthemoides	Ursinia	Asteraceae
Imperata cylindrica	Imperata	Poaceae
Tetradium glabrifolium	Tetradium	Rutaceae
Trollius macropetalus	Trollius	Ranunculaceae
Polypodium aureum	Polypodium	Polypodiaceae
Alpinia officinarum	Alpinia	Zingiberaceae
Casimiroa edulis	Casimiroa	Rutaceae
Tylophora asthmatica	Tylophora	Apocynaceae
Helianthus californicus	Helianthus	Asteraceae
Phellodendron amurense	Phellodendron	Rutaceae
Morinda coreia	Morinda	Rubiaceae
Jacobaea cannabifolia	Jacobaea	Asteraceae
Skimmia japonica	Skimmia	Rutaceae
Conium maculatum	Conium	Apiaceae
Aglaia pyramidata	Aglaia	Meliaceae
Schrebera swietenoides	Schrebera	Oleaceae
Senecio gilliesi	Senecio	Asteraceae
Derris malaccensis	Derris	Fabaceae
Celastrus monospermus	Celastrus	Celastraceae
Beta vulgaris	Beta	Chenopodiaceae
Solanum spirale	Solanum	Solanaceae
Agave deserti	Agave	Asparagaceae
Asclepias subulata	Asclepias	Apocynaceae
Strychnos potatorum	Strychnos	Loganiaceae
Zanthoxylum simulans	Zanthoxylum	Rutaceae
Phellodendron chinese	Phellodendron	Rutaceae
Daphne tangutica	Daphne	Thymelaeaceae
Jacobaea vulgaris	Jacobaea	Asteraceae
Sophora leachiana	Sophora	Fabaceae
Murraya paniculata	Murraya	Rutaceae
Sarcomelicope glauca	Sarcomelicope	Rutaceae
Vernonia lilacina	Vernonia	Asteraceae
Wikstroemia chamaedaphne	Wikstroemia	Thymelaeaceae
Vepris punctata	Vepris	Rutaceae
Passiflora morifolia	Passiflora	Passifloraceae
Orixa japonica	Orixa	Rutaceae
Trifolium montanum	Trifolium	Fabaceae
Limonium bicolor	Limonium	Plumbaginaceae
Ruta graveolens	Ruta	Rutaceae
Hortonia floribunda	Hortonia	Monimiaceae
Corynanthe pachyceras	Corynanthe	Rubiaceae
Ulmus americana	Ulmus	Ulmaceae
Peucedanum praeruptorum	Peucedanum	Apiaceae
Reaumuria hirtella	Reaumuria	Tamaricaceae
Vitellaria paradoxa	Vitellaria	Sapotaceae
Centaurea arenaria	Centaurea	Asteraceae
Coleus esquirolii	Coleus	Lamiaceae
Scorzonera hispanica	Scorzonera	Asteraceae
Zanthoxylum bungeanum	Zanthoxylum	Rutaceae
Peucedanum oroselinum	Peucedanum	Apiaceae
Ageratina saltillensis	Ageratina	Asteraceae
Cynoglossum amabile	Cynoglossum	Boraginaceae
Litsea glutinosa	Litsea	Lauraceae
Vicia balansae	Vicia	Fabaceae
Echinosophora koreensis	Echinosophora	Fabaceae
Gutenbergia cordifolia	Gutenbergia	Asteraceae
Glycosmis cochinchinensis	Glycosmis	Rutaceae
Garcinia intermedia	Garcinia	Clusiaceae
Bellium bellidioides	Bellium	Asteraceae
Elegia deusta	Elegia	Restionaceae
Atalantia wightii	Atalantia	Rutaceae
Sida veronicaefolia	Sida	Malvaceae
Salvia polystachya	Salvia	Lamiaceae
Toddalia asiatica	Toddalia	Rutaceae
Spiraea prunifolia	Spiraea	Rosaceae
Salvia munzii	Salvia	Lamiaceae
Kielmeyera coriacea	Kielmeyera	Calophyllaceae
Solanum transcaucasicum	Solanum	Solanaceae
Senecio densiflorus	Senecio	Asteraceae
Grewia villosa	Grewia	Malvaceae
Consolida hohenackeri	Consolida	Ranunculaceae
Angelica taiwaniana	Angelica	Apiaceae
Lithospermum officinale	Lithospermum	Boraginaceae
Zanthoxylum schinifolium	Zanthoxylum	Rutaceae
Euonymus europaeus	Euonymus	Celastraceae
Persicaria tinctoria	Persicaria	Polygonaceae
Sarcococca vagans	Sarcococca	Buxaceae
Trachelospermum lucidum	Trachelospermum	Apocynaceae
Phyllodium pulchellum	Phyllodium	Fabaceae
Zanthoxylum nitidum	Zanthoxylum	Rutaceae
Mikania scandens	Mikania	Asteraceae
Cotylelobium scabriusculum	Cotylelobium	Dipterocarpaceae
Cynara humilis	Cynara	Asteraceae

Ingredient ID: NPC308988
Formula: C25H32O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC1=C(C)[C@@H]2CC(=O)O[C@H]3[C@@]2([C@@H](C1=O)[C@@]1(C)C(=O)[C@@H](OC(=O)C)C[C@H]([C@@H]1[C@H]3OC(=O)C)C)C
Standard InCHI	InChI=1S/C25H32O9/c1-10-8-15(32-12(3)26)22(30)25(6)17(10)20(33-13(4)27)23-24(5)14(9-16(28)34-23)11(2)19(31-7)18(29)21(24)25/h10,14-15,17,20-21,23H,8-9H2,1-7H3/t10-,14+,15+,17-,20-,21-,23-,24+,25+/m1/s1
Standard InCHIKey	WWVADQKFJWVGDY-FRYNWKEPSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD129004]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae

Ingredient ID: NPC305016
Formula: C26H30O8

Common Name	Limonin
IUPAC Name	n.a.
Canonical SMILES	O=C1OC[C@]23[C@H](C1)OC([C@@H]2CC(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C
Standard InCHI	InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
Standard InCHIKey	KBDSLGBFQAGHBE-MSGMIQHVSA-N
Ingredient External Links	PubChem CID: 179651 ZINC ID: ZINC000004096134 ChEMBL ID: CHEMBL517449
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC305016]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Citrus unshiu	Citrus	Rutaceae
Glycosmis pseudoracemosa	Glycosmis	Rutaceae
Dictamnus dasycarpus	Dictamnus	Rutaceae
Corydalis persica	Corydalis	Papaveraceae
Salta triflora	Salta	Polygonaceae
Inula grantioides	Inula	Asteraceae
Vernonia chloropappa	Vernonia	Asteraceae
Juniperus horizontalis	Juniperus	Cupressaceae
Strychnos spinosa	Strychnos	Loganiaceae
Esenbeckia hartmanii	Esenbeckia	Rutaceae
Amomum daniellii	Amomum	Zingiberaceae
Aeollanthus buchnerianus	Aeollanthus	Lamiaceae
Plectranthus caninus	Plectranthus	Lamiaceae
Lathyrus tingitanus	Lathyrus	Fabaceae
Chromolaena odorata	Chromolaena	Asteraceae
Echium plantagineum	Echium	Boraginaceae
Rauvolfia salicifolia	Rauvolfia	Apocynaceae
Balanophora japonica	Balanophora	Balanophoraceae
Citrus medica	Citrus	Rutaceae
Citrus wilsonii	Citrus	Rutaceae
Leptospermum recurvum	Leptospermum	Myrtaceae
Cota tinctoria	Cota	Asteraceae
Euodia bodinieri	Euodia	Rutaceae
Pycnarrhena australiana	Pycnarrhena	Menispermaceae
Ilex affinis	Ilex	Aquifoliaceae
Berberis repens	Berberis	Berberidaceae
Anaxagorea clavata	Anaxagorea	Annonaceae
Hernandia sonora	Hernandia	Hernandiaceae
Helianthus niveus	Helianthus	Asteraceae
Citrus sinensis	Citrus	Rutaceae
Tetradium ruticarpum	Tetradium	Rutaceae
Oricia suaveolens	Oricia	Rutaceae
Stenostomum lucidum	Stenostomum	Rubiaceae
Beyeria brevifolia	Beyeria	Euphorbiaceae
Cynoglossum viridiflorum	Cynoglossum	Boraginaceae
Citrus trifoliata	Citrus	Rutaceae
Kaempferia pulchra	Kaempferia	Zingiberaceae
Phellodendron chinense	Phellodendron	Rutaceae
Drosera peltata	Drosera	Droseraceae
Alchornea cordifolia	Alchornea	Euphorbiaceae
Tetradium glabrifolium	Tetradium	Rutaceae
Arnica nevadensis	Arnica	Asteraceae
Odixia angusta	Odixia	Asteraceae
Prunus laurocerasus	Prunus	Rosaceae
Ficus formosana	Ficus	Moraceae
Phellodendron amurense	Phellodendron	Rutaceae
Dipterocarpus alatus	Dipterocarpus	Dipterocarpaceae
Echinops amplexicaulis	Echinops	Asteraceae
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 monogyna	Artemisia	Asteraceae
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
Agnorhiza bolanderi	Agnorhiza	Asteraceae
Phellodendron chinese	Phellodendron	Rutaceae
Citrus yuko	Citrus	Rutaceae
Citrus maxima	Citrus	Rutaceae
Sesbania punicea	Sesbania	Fabaceae
Citrus grandis	Citrus	Rutaceae
Trifolium montanum	Trifolium	Fabaceae
Corynanthe pachyceras	Corynanthe	Rubiaceae
Euodia officinalis	Euodia	Rutaceae
Citrus natsudaidai	Citrus	Rutaceae
Peucedanum oroselinum	Peucedanum	Apiaceae
Ageratina saltillensis	Ageratina	Asteraceae
Thalictrum lucidum	Thalictrum	Ranunculaceae
Cynoglossum amabile	Cynoglossum	Boraginaceae
Coptis chinensis	Coptis	Ranunculaceae
Salvia officinalis	Salvia	Lamiaceae
Securidaca inappendiculata	Securidaca	Polygalaceae
Atalantia wightii	Atalantia	Rutaceae
Salvia polystachya	Salvia	Lamiaceae
Citrus aurantium	Citrus	Rutaceae
Pteris prolifera	Pteris	Pteridaceae
Grewia villosa	Grewia	Malvaceae
Euodia ruticarpa	Euodia	Rutaceae
Citrus junos	Citrus	Rutaceae
Persicaria tinctoria	Persicaria	Polygonaceae

Ingredient ID: NPC303374
Formula: C20H15N3O4

Common Name	Orisuaveoline B
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)nc1n(c2=O)CCc2c1[nH]c1c2cc2c(c1)OCO2
Standard InCHI	InChI=1S/C20H15N3O4/c1-25-10-2-3-12-14(6-10)22-19-18-11(4-5-23(19)20(12)24)13-7-16-17(27-9-26-16)8-15(13)21-18/h2-3,6-8,21H,4-5,9H2,1H3
Standard InCHIKey	XQLMMQLYXOMQKO-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 25157868 ChEMBL ID: CHEMBL574332
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC303374]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae

Ingredient ID: NPC220851
Formula: C18H13N3O2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc2c(c1)nc1n(c2=O)CCc2c1[nH]c1c2cccc1
Standard InCHI	InChI=1S/C18H13N3O2/c22-10-5-6-13-15(9-10)20-17-16-12(7-8-21(17)18(13)23)11-3-1-2-4-14(11)19-16/h1-6,9,19,22H,7-8H2
Standard InCHIKey	HZSWRGHOTULQJO-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC220851]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae

Ingredient ID: NPC217176
Formula: C14H13NO4

Common Name	Kokusaginine
IUPAC Name	4,6,7-trimethoxyfuro[2,3-b]quinoline
Canonical SMILES	COc1cc2c(cc1OC)nc1c(c2OC)cco1
Standard InCHI	InChI=1S/C14H13NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h4-7H,1-3H3
Standard InCHIKey	JBRXRVFXQIKPEA-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10227 ZINC ID: ZINC000000900216 ChEMBL ID: CHEMBL278779
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC217176]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Aeollanthus buchnerianus	Aeollanthus	Lamiaceae
Echium plantagineum	Echium	Boraginaceae
Aconitum volubile	Aconitum	Ranunculaceae
Leptospermum recurvum	Leptospermum	Myrtaceae
Hernandia sonora	Hernandia	Hernandiaceae
Helianthus niveus	Helianthus	Asteraceae
Oricia suaveolens	Oricia	Rutaceae
Melicope semecarpifolia	Melicope	Rutaceae
Cynoglossum viridiflorum	Cynoglossum	Boraginaceae
Derris malaccensis	Derris	Fabaceae
Strychnos potatorum	Strychnos	Loganiaceae
Euphorbia hirta	Euphorbia	Euphorbiaceae
Daphne tangutica	Daphne	Thymelaeaceae
Sarcomelicope glauca	Sarcomelicope	Rutaceae
Vepris punctata	Vepris	Rutaceae
Orixa japonica	Orixa	Rutaceae
Limonium bicolor	Limonium	Plumbaginaceae
Ruta graveolens	Ruta	Rutaceae
Vitellaria paradoxa	Vitellaria	Sapotaceae
Zanthoxylum bungeanum	Zanthoxylum	Rutaceae
Glycosmis cochinchinensis	Glycosmis	Rutaceae

Ingredient ID: NPC188400
Formula: C17H17NO5

Common Name	Quinosuaveoline B
IUPAC Name	n.a.
Canonical SMILES	COc1c2cc3OC[C@@H](Oc3cc2nc2c1cco2)C(O)(C)C
Standard InCHI	InChI=1S/C17H17NO5/c1-17(2,19)14-8-22-12-6-10-11(7-13(12)23-14)18-16-9(4-5-21-16)15(10)20-3/h4-7,14,19H,8H2,1-3H3/t14-/m1/s1
Standard InCHIKey	OXDIHTWLYDWMMZ-CQSZACIVSA-N
Ingredient External Links	PubChem CID: 25157869 ChEMBL ID: CHEMBL574554
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC188400]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae

Ingredient ID: NPC175918
Formula: C21H28O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC1=C(C)[C@@H]2CC(=O)O[C@H]3[C@@]2([C@@H](C1=O)[C@]1(C)[C@H](C3)[C@H](C)C[C@@H](C1=O)O)C
Standard InCHI	InChI=1S/C21H28O6/c1-9-6-13(22)19(25)21(4)11(9)7-14-20(3)12(8-15(23)27-14)10(2)17(26-5)16(24)18(20)21/h9,11-14,18,22H,6-8H2,1-5H3/t9-,11-,12+,13+,14-,18-,20-,21+/m1/s1
Standard InCHIKey	GESOKLRVLMVNMO-CZDKIBKJSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD147164]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae

Ingredient ID: NPC173250
Formula: C14H11NO5

Common Name	Flindersiamine
IUPAC Name	n.a.
Canonical SMILES	COc1c2OCOc2cc2c1nc1occc1c2OC
Standard InCHI	InChI=1S/C14H11NO5/c1-16-11-7-3-4-18-14(7)15-10-8(11)5-9-12(13(10)17-2)20-6-19-9/h3-5H,6H2,1-2H3
Standard InCHIKey	IMJCEVWDXKCHOI-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 68221 ZINC ID: ZINC000000900182 ChEMBL ID: CHEMBL503519
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC173250]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Aconitum volubile	Aconitum	Ranunculaceae
Oricia suaveolens	Oricia	Rutaceae
Derris malaccensis	Derris	Fabaceae
Vepris punctata	Vepris	Rutaceae

Ingredient ID: NPC168922
Formula: C13H9NO4

Common Name	Maculine
IUPAC Name	n.a.
Canonical SMILES	COc1c2cc3OCOc3cc2nc2c1cco2
Standard InCHI	InChI=1S/C13H9NO4/c1-15-12-7-2-3-16-13(7)14-9-5-11-10(4-8(9)12)17-6-18-11/h2-5H,6H2,1H3
Standard InCHIKey	VPNYHHBCMOYPCJ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 68232 ZINC ID: ZINC000000900237 ChEMBL ID: CHEMBL503675
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC168922]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Aeollanthus buchnerianus	Aeollanthus	Lamiaceae
Echium plantagineum	Echium	Boraginaceae
Aconitum volubile	Aconitum	Ranunculaceae
Leptospermum recurvum	Leptospermum	Myrtaceae
Hernandia sonora	Hernandia	Hernandiaceae
Helianthus niveus	Helianthus	Asteraceae
Oricia suaveolens	Oricia	Rutaceae
Cynoglossum viridiflorum	Cynoglossum	Boraginaceae
Derris malaccensis	Derris	Fabaceae
Vepris punctata	Vepris	Rutaceae

Ingredient ID: NPC1608
Formula: C14H11NO5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1c2OCOc2cc2c1c(OC)c1c(n2)occ1
Standard InCHI	InChI=1S/C14H11NO5/c1-16-11-7-3-4-18-14(7)15-8-5-9-12(20-6-19-9)13(17-2)10(8)11/h3-5H,6H2,1-2H3
Standard InCHIKey	GJMFVFKPADGXCP-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 637256 ChEMBL ID: CHEMBL461610
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC1608]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae
Vepris punctata	Vepris	Rutaceae

Ingredient ID: NPC160100
Formula: C13H11NO4

Common Name	Heliparvifoline
IUPAC Name	n.a.
Canonical SMILES	COc1c(O)ccc2c1nc1occc1c2OC
Standard InCHI	InChI=1S/C13H11NO4/c1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13/h3-6,15H,1-2H3
Standard InCHIKey	LJKPBWHZRNQEMO-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: NA ZINC ID: ZINC000005998737 ChEMBL ID: CHEMBL455007
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC160100]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Dictamnus dasycarpus	Dictamnus	Rutaceae
Salta triflora	Salta	Polygonaceae
Acronychia laurifolia	Acronychia	Rutaceae
Esenbeckia hartmanii	Esenbeckia	Rutaceae
Talipariti tiliaceum	Talipariti	Malvaceae
Hosta sieboldiana	Hosta	Asparagaceae
Oricia suaveolens	Oricia	Rutaceae
Zanthoxylum integrifoliolum	Zanthoxylum	Rutaceae
Inula salsoloides	Inula	Asteraceae
Eutrochium purpureum	Eutrochium	Asteraceae
Morinda coreia	Morinda	Rubiaceae
Jacobaea cannabifolia	Jacobaea	Asteraceae
Conium maculatum	Conium	Apiaceae
Aglaia pyramidata	Aglaia	Meliaceae
Schrebera swietenoides	Schrebera	Oleaceae
Senecio gilliesi	Senecio	Asteraceae
Celastrus monospermus	Celastrus	Celastraceae
Solanum spirale	Solanum	Solanaceae
Agave deserti	Agave	Asparagaceae
Asclepias subulata	Asclepias	Apocynaceae
Zanthoxylum simulans	Zanthoxylum	Rutaceae
Sophora leachiana	Sophora	Fabaceae
Vernonia lilacina	Vernonia	Asteraceae
Passiflora morifolia	Passiflora	Passifloraceae
Trifolium montanum	Trifolium	Fabaceae
Hortonia floribunda	Hortonia	Monimiaceae
Ageratina saltillensis	Ageratina	Asteraceae
Salvia polystachya	Salvia	Lamiaceae
Grewia villosa	Grewia	Malvaceae
Zanthoxylum nitidum	Zanthoxylum	Rutaceae

Ingredient ID: NPC101312
Formula: C18H17NO5

Common Name	Tecleaverdoornine
IUPAC Name	n.a.
Canonical SMILES	COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O
Standard InCHI	InChI=1S/C18H17NO5/c1-9(2)4-5-10-12-13(14(20)17-16(10)23-8-24-17)19-18-11(6-7-22-18)15(12)21-3/h4,6-7,20H,5,8H2,1-3H3
Standard InCHIKey	DVYGQAMJPXHFED-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 152710 ChEMBL ID: CHEMBL572482
Plant-Ingredient Association Reference	PMID: 18950230 Database: NPASS [NPC101312]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom
NPC101312	C18H17NO5	Tecleaverdoornine	327.11	0.9085	2.78	2.058	1	1	73.95	7	4	24
NPC160100	C13H11NO4	Heliparvifoline	245.07	-0.718	2.34	1.105	1	1	64.72	5	3	18
NPC1608	C14H11NO5		273.06	-0.5604	2.34	1.107	1	0	62.95	4	4	20
NPC168922	C13H9NO4	Maculine	243.05	-0.5086	2.34	1.551	1	0	53.72	2	4	18
NPC173250	C14H11NO5	Flindersiamine	273.06	-0.5604	2.34	1.107	1	0	62.95	4	4	20
NPC175918	C21H28O6		376.1885886	0.043	3.11	1.148	6	1	89.9	1	4	27
NPC188400	C17H17NO5	Quinosuaveoline B	315.11	-0.4191	2.67	1.619	2	1	73.95	6	4	23
NPC217176	C14H13NO4	Kokusaginine	259.08	-0.3095	2.45	1.624	1	0	53.72	6	3	19
NPC220851	C18H13N3O2		303.1007767	-1.2136	2.89	2.777	4	2	68.69	1	5	23
NPC303374	C20H15N3O4	Orisuaveoline B	361.11	-1.1078	2.89	2.124	4	1	76.15	2	6	27
NPC305016	C26H30O8	Limonin	470.19	-0.4484	3.44	1.644	7	0	104.57	5	7	34
NPC308988	C25H32O9		476.2046326	0.0349	3.22	1.169	9	0	122.27	5	4	34
NPC34770	C14H13NO4	Skimmianine	259.08	-0.3095	2.45	1.624	1	0	53.72	6	3	19
NPC66777	C19H15N3O2		317.12	-0.8051	3	3.296	4	1	57.69	2	5	24
NPC78754	C21H28O7		392.1835032	-0.7233	3	0.118	7	2	110.13	1	4	28

Download Data

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