CMAUP Plant Ingredients

11 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: 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: 12713408 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: NPC286189
Formula: C15H20O2

Common Name	n.a.
IUPAC Name	(5E,9E,11aS)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one
Canonical SMILES	C/C/1=CCC/C(=C/CC2=C(C(=O)O[C@H]2C1)C)/C
Standard InCHI	InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,14H,4-5,8-9H2,1-3H3/b10-7+,11-6+/t14-/m0/s1
Standard InCHIKey	SLGKCOCDZZQQLY-HSLDFMSTSA-N
Ingredient External Links	PubChem CID: 44593362 ZINC ID: ZINC000030726907
Plant-Ingredient Association Reference	PMID: 15165160 Database: NPASS [NPC286189]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Vepris punctata	Vepris	Rutaceae
Curcuma zedoaria	Curcuma	Zingiberaceae

Ingredient ID: NPC23187
Formula: C15H20O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C1O[C@@H]2C(=C1C)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/h10-12H,4-7H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1
Standard InCHIKey	CWAJEURPJYKGRL-PRSHDEELSA-N
Ingredient External Links	ZINC ID: ZINC000013456647
Plant-Ingredient Association Reference	PMID: 15165160 Database: NPASS [NPC23187]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Vepris punctata	Vepris	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: 12713408 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: NPC203373
Formula: C16H17NO6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1c(OC)c2nc3occc3c(c2c(c1OC)OC)OC
Standard InCHI	InChI=1S/C16H17NO6/c1-18-11-8-6-7-23-16(8)17-10-9(11)12(19-2)14(21-4)15(22-5)13(10)20-3/h6-7H,1-5H3
Standard InCHIKey	ATNODOVGBPPUGB-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 12713408 Database: NPASS [NPC203373]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Vepris punctata	Vepris	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: 12713408 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: 12713408 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: 12713408 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: NPC146188
Formula: C32H48O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H]1O[C@H]2C[C@]31CC=C1[C@@]([C@@H]3CC2(C)C)(C)CC[C@H]2[C@@]1(C)[C@@H]1O[C@@H]1[C@@H]1[C@]2(C)CC[C@H](C1(C)C)O
Standard InCHI	InChI=1S/C32H48O5/c1-17(33)35-26-32-14-10-18-29(6,20(32)15-27(2,3)22(16-32)36-26)12-9-19-30(7)13-11-21(34)28(4,5)24(30)23-25(37-23)31(18,19)8/h10,19-26,34H,9,11-16H2,1-8H3/t19-,20+,21-,22+,23-,24+,25-,26+,29-,30-,31+,32-/m1/s1
Standard InCHIKey	ZLMMCVKSRGCZAX-IXHJRKEVSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 15165160 Database: NPASS [NPC146188]

Distribution of the ingredient across plants

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

Ingredient ID: NPC132533
Formula: C35H38N4O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC(=O)CCC1=C(C)C(=CC2=NC3=Cc4c(C)c(c(n4CCC3=C2C)C=C2N=C(C(=C2C)CCC(=O)OC)O)C=C)NC1=O
Standard InCHI	InChI=1S/C35H38N4O6/c1-8-22-21(5)30-17-29-23(18(2)26(36-29)15-27-19(3)24(34(42)37-27)9-11-32(40)44-6)13-14-39(30)31(22)16-28-20(4)25(35(43)38-28)10-12-33(41)45-7/h8,15-17H,1,9-14H2,2-7H3,(H,37,42)(H,38,43)
Standard InCHIKey	JAHNNTYKDAMSFA-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD218074]

Distribution of the ingredient across plants

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

Ingredient ID: NPC120513
Formula: C15H13NO6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1c2OCOc2c(c2c1nc1occc1c2OC)OC
Standard InCHI	InChI=1S/C15H13NO6/c1-17-10-7-4-5-20-15(7)16-9-8(10)11(18-2)13-14(12(9)19-3)22-6-21-13/h4-5H,6H2,1-3H3
Standard InCHIKey	COJPQYSBAPMFIW-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 12713408 Database: NPASS [NPC120513]

Distribution of the ingredient across plants

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

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC120513	C15H13NO6		303.07	-0.6122	2.34	0.663	1	0	72.18	6	4	22	0
NPC132533	C35H38N4O6		610.2791349	3.1368	4.21	2.685	10	2	131.58	11	5	45	1
NPC146188	C32H48O5		512.35	2.0328	4.43	5.784	5	1	68.29	11	7	37	1
NPC1608	C14H11NO5		273.06	-0.5604	2.34	1.107	1	0	62.95	4	4	20	0
NPC168922	C13H9NO4	Maculine	243.05	-0.5086	2.34	1.551	1	0	53.72	2	4	18	0
NPC173250	C14H11NO5	Flindersiamine	273.06	-0.5604	2.34	1.107	1	0	62.95	4	4	20	0
NPC203373	C16H17NO6		319.11	-0.4131	2.45	0.736	1	0	72.18	10	3	23	0
NPC217176	C14H13NO4	Kokusaginine	259.08	-0.3095	2.45	1.624	1	0	53.72	6	3	19	0
NPC23187	C15H20O4		264.14	0.7629	2.67	1.319	4	0	51.36	3	4	19	0
NPC286189	C15H20O2		232.1463299	3.1071	2.89	2.905	2	0	26.3	3	2	17	0
NPC34770	C14H13NO4	Skimmianine	259.08	-0.3095	2.45	1.624	1	0	53.72	6	3	19	0

Download Data

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