CMAUP Plant Ingredients

12 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.

6 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC98750
Formula: C12H23NO8

Common Name	n.a.
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3R,4R)-3-hydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1NCC[C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C12H23NO8/c14-3-5-8(16)6(1-2-13-5)20-12-11(19)10(18)9(17)7(4-15)21-12/h5-19H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1
Standard InCHIKey	ZFBSYXPXCAAPOU-FYKVHUBJSA-N
Ingredient External Links	PubChem CID: 10852369
Plant-Ingredient Association Reference	PMID: 9544568 Database: NPASS [NPC98750]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Castanospermum australe	Castanospermum	Fabaceae
Morus bombycis	Morus	Moraceae
Xanthocercis zambesiaca	Xanthocercis	Fabaceae
aglaonema treubii	Aglaonema	Araceae

Ingredient ID: NPC8087
Formula: C6H13NO4

Common Name	2,5-Dideoxy-2,5-Imino-D-Mannitol
IUPAC Name	(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
Canonical SMILES	OC[C@H]1N[C@@H]([C@H]([C@@H]1O)O)CO
Standard InCHI	InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
Standard InCHIKey	PFYHYHZGDNWFIF-KVTDHHQDSA-N
Ingredient External Links	PubChem CID: 124702 ZINC ID: ZINC000001492230 ChEMBL ID: CHEMBL312653
Plant-Ingredient Association Reference	PMID: 9544568 Database: NPASS [NPC8087]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Castanospermum australe	Castanospermum	Fabaceae
Morus bombycis	Morus	Moraceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Xanthocercis zambesiaca	Xanthocercis	Fabaceae
Angylocalyx pynaertii	Angylocalyx	Fabaceae
Scorzoneroides autumnalis	Scorzoneroides	Asteraceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
aglaonema treubii	Aglaonema	Araceae
Lactuca floridana	Lactuca	Asteraceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae
Commelina communis	Commelina	Commelinaceae

Ingredient ID: NPC76726
Formula: C6H13NO3

Common Name	Fagomine
IUPAC Name	(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol
Canonical SMILES	OC[C@H]1NCC[C@H]([C@@H]1O)O
Standard InCHI	InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
Standard InCHIKey	YZNNBIPIQWYLDM-HSUXUTPPSA-N
Ingredient External Links	PubChem CID: 72259 ZINC ID: ZINC000004098580 ChEMBL ID: CHEMBL108084
Plant-Ingredient Association Reference	PMID: 9544568 Database: NPASS [NPC76726]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Erythrina speciosa	Erythrina	Fabaceae
Prunus prostrata	Prunus	Rosaceae
Castanospermum australe	Castanospermum	Fabaceae
Morus bombycis	Morus	Moraceae
Richteria pyrethroides	Richteria	Asteraceae
Xanthocercis zambesiaca	Xanthocercis	Fabaceae
Piper divaricatum	Piper	Piperaceae
Helichrysum drakensbergense	Helichrysum	Asteraceae
Santolina pectinata	Santolina	Asteraceae
Prosopis africana	Prosopis	Fabaceae
Commiphora sphaerocarpa	Commiphora	Burseraceae
Satureja vulgaris	Satureja	Lamiaceae
Morus alba	Morus	Moraceae
aglaonema treubii	Aglaonema	Araceae

Ingredient ID: NPC75435
Formula: C7H15NO5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1N[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1
Standard InCHIKey	CLVUFWXGNIFGNC-OVHBTUCOSA-N
Ingredient External Links	ChEMBL ID: CHEMBL501355
Plant-Ingredient Association Reference	PMID: 9544568 Database: NPASS [NPC75435]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Castanospermum australe	Castanospermum	Fabaceae
Morus bombycis	Morus	Moraceae
Xanthocercis zambesiaca	Xanthocercis	Fabaceae
aglaonema treubii	Aglaonema	Araceae

Ingredient ID: NPC70574
Formula: C12H23NO8

Common Name	n.a.
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)CCN[C@@H]2CO)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C12H23NO8/c14-3-5-11(6(16)1-2-13-5)21-12-10(19)9(18)8(17)7(4-15)20-12/h5-19H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12+/m1/s1
Standard InCHIKey	SBRQYNWRPMAGGE-WUYFHPBOSA-N
Ingredient External Links	PubChem CID: 21591966
Plant-Ingredient Association Reference	PMID: 9544568 Database: NPASS [NPC70574]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Castanospermum australe	Castanospermum	Fabaceae
Morus bombycis	Morus	Moraceae
Xanthocercis zambesiaca	Xanthocercis	Fabaceae
aglaonema treubii	Aglaonema	Araceae

Ingredient ID: NPC43601
Formula: C15H20O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](OCC=Cc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C15H20O7/c16-8-11-12(18)13(19)14(20)15(22-11)21-7-1-2-9-3-5-10(17)6-4-9/h1-6,11-20H,7-8H2/t11-,12-,13+,14-,15-/m1/s1
Standard InCHIKey	CNNXMGXBAZQZDE-UXXRCYHCSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD226547]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Castanospermum australe	Castanospermum	Fabaceae

Ingredient ID: NPC34908
Formula: C4H8N2O3

Common Name	n.a.
IUPAC Name	(2S)-4-amino-2-azaniumyl-4-oxobutanoate
Canonical SMILES	OC(=N)C[C@@H](C(=O)O)N
Standard InCHI	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
Standard InCHIKey	DCXYFEDJOCDNAF-REOHCLBHSA-N
Ingredient External Links	PubChem CID: 6992089
Plant-Ingredient Association Reference	Database: UNPD [UNPD141469]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Angelica gigas	Angelica	Apiaceae
Asparagus cochinchinensis	Asparagus	Asparagaceae
Hemerocallis radix	Hemerocallis	Asphodelaceae
Castanospermum australe	Castanospermum	Fabaceae
Bupleurum scorzonerifolium	Bupleurum	Apiaceae
Scrophularia nodosa	Scrophularia	Scrophulariaceae
Angelica sinensis	Angelica	Apiaceae
Ginkgo semen	Ginkgo	Ginkgoaceae
Arabidopsis thaliana	Arabidopsis	Brassicaceae
Platymiscium floribundum	Platymiscium	Fabaceae
Hedysarum multijugum maxim	Hedysarum	Fabaceae
Ginkgo biloba	Ginkgo	Ginkgoaceae
Caesalpinia crista	Guilandina	Fabaceae
Brassica juncea	Brassica	Brassicaceae
Angelica acutiloba	Angelica	Apiaceae
Bupleurum chinense	Bupleurum	Apiaceae
Bupleurum falcatum	Bupleurum	Apiaceae
Scrophularia ningpoensis	Scrophularia	Scrophulariaceae
Humulus scandens	Humulus	Cannabaceae
Allium sativum	Allium	Amaryllidaceae
Sinapis alba	Sinapis	Brassicaceae
Asparagus officinalis	Asparagus	Asparagaceae

Ingredient ID: NPC306462
Formula: C6H13NO4

Common Name	Duvoglustat
IUPAC Name	(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Canonical SMILES	OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
Standard InCHIKey	LXBIFEVIBLOUGU-JGWLITMVSA-N
Ingredient External Links	PubChem CID: 29435 ZINC ID: ZINC000003794714 ChEMBL ID: CHEMBL307429
Plant-Ingredient Association Reference	PMID: 9544568 Database: NPASS [NPC306462]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Castanospermum australe	Castanospermum	Fabaceae
Morus bombycis	Morus	Moraceae
Taxillus chinensis	Taxillus	Loranthaceae
Xanthocercis zambesiaca	Xanthocercis	Fabaceae
Morus alba	Morus	Moraceae
aglaonema treubii	Aglaonema	Araceae
Cinnamosma macrocarpa	Cinnamosma	Canellaceae

Ingredient ID: NPC299493
Formula: C14H20O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]1O[C@H](OCCc2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m0/s1
Standard InCHIKey	ILRCGYURZSFMEG-HPCHECBXSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD81357]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Castanospermum australe	Castanospermum	Fabaceae

Ingredient ID: NPC290106
Formula: C6H13NO3

Common Name	3-Epifagomine
IUPAC Name	(2R,3R,4S)-2-(hydroxymethyl)piperidine-3,4-diol
Canonical SMILES	OC[C@H]1NCC[C@@H]([C@@H]1O)O
Standard InCHI	InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6-/m1/s1
Standard InCHIKey	YZNNBIPIQWYLDM-NGJCXOISSA-N
Ingredient External Links	PubChem CID: 10290867 ZINC ID: ZINC000013601808 ChEMBL ID: CHEMBL456583
Plant-Ingredient Association Reference	PMID: 9544568 Database: NPASS [NPC290106]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Erythrina speciosa	Erythrina	Fabaceae
Prunus prostrata	Prunus	Rosaceae
Castanospermum australe	Castanospermum	Fabaceae
Morus bombycis	Morus	Moraceae
Richteria pyrethroides	Richteria	Asteraceae
Xanthocercis zambesiaca	Xanthocercis	Fabaceae
Piper divaricatum	Piper	Piperaceae
Helichrysum drakensbergense	Helichrysum	Asteraceae
Santolina pectinata	Santolina	Asteraceae
Prosopis africana	Prosopis	Fabaceae
Commiphora sphaerocarpa	Commiphora	Burseraceae
Satureja vulgaris	Satureja	Lamiaceae
Morus alba	Morus	Moraceae
aglaonema treubii	Aglaonema	Araceae

Ingredient ID: NPC157338
Formula: C14H20O7

Common Name	n.a.
IUPAC Name	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
Standard InCHIKey	ILRCGYURZSFMEG-RKQHYHRCSA-N
Ingredient External Links	PubChem CID: 159278 ZINC ID: ZINC000006092865
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC157338]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Echinocereus blanckii	Echinocereus	Cactaceae
Rabdosia weisiensis	Isodon	Lamiaceae
Sargentodoxa cuneata	Sargentodoxa	Lardizabalaceae
Alluaudia ascendens	Alluaudia	Didiereaceae
Buddleja officinalis	Buddleja	Scrophulariaceae
Castanospermum australe	Castanospermum	Fabaceae
Ligustrum japonicus	Ligustrum	Oleaceae
Fraxinus chinensis	Fraxinus	Oleaceae
Euodia bodinieri	Euodia	Rutaceae
Ligustrum lucidum	Ligustrum	Oleaceae
Juglans regia	Juglans	Juglandaceae
Forsythia viridissima	Forsythia	Oleaceae
Tetradium ruticarpum	Tetradium	Rutaceae
Forsythia suspensa	Forsythia	Oleaceae
Psorothamnus polydenius	Psorothamnus	Fabaceae
Rhodiola crenulata	Rhodiola	Crassulaceae
Bombax ceiba	Bombax	Malvaceae
Physostigma venenosum	Physostigma	Fabaceae
Smilax china	Smilax	Smilacaceae
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
Frullania tamarisci	Frullania	Frullaniaceae
Alangium premnifolium	Alangium	Cornaceae
Saussurea carthamoides	Saussurea	Asteraceae
Galenia africana	Galenia	Aizoaceae
Micromeria pineolens	Micromeria	Lamiaceae
Gnidia lamprantha	Gnidia	Thymelaeaceae
Ilex amara	Ilex	Aquifoliaceae
Leonurus glaucescens	Leonurus	Lamiaceae
Salacia madagascariensis	Salacia	Celastraceae
Maba buxifolia	Maba	Ebenaceae
Quercus sessiliflora	Quercus	Fagaceae
Plantago asiatica	Plantago	Plantaginaceae
Fraxinus stylosa	Fraxinus	Oleaceae
Centaurea collina	Centaurea	Asteraceae
Achillea serbica	Achillea	Asteraceae
Euodia officinalis	Euodia	Rutaceae
Euonymus nanus	Euonymus	Celastraceae
Lepidium draba	Lepidium	Brassicaceae
Millingtonia hortensis	Millingtonia	Bignoniaceae
Sinapis nigra	Sinapis	Brassicaceae
Cistanche tubulosa	Cistanche	Orobanchaceae
Smilax glabra	Smilax	Smilacaceae
Euodia ruticarpa	Euodia	Rutaceae
Plantago depressa	Plantago	Plantaginaceae
Fraxinus szaboana	Fraxinus	Oleaceae

Ingredient ID: NPC126664
Formula: C8H15NO4

Common Name	Castanospermine
IUPAC Name	(1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
Canonical SMILES	O[C@@H]1[C@@H](O)CN2[C@@H]([C@H]1O)[C@@H](O)CC2
Standard InCHI	InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
Standard InCHIKey	JDVVGAQPNNXQDW-TVNFTVLESA-N
Ingredient External Links	PubChem CID: 54445 ChEMBL ID: CHEMBL311226
Plant-Ingredient Association Reference	PMID: 9544568 Database: NPASS [NPC126664]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Erythrina speciosa	Erythrina	Fabaceae
Prunus prostrata	Prunus	Rosaceae
Castanospermum australe	Castanospermum	Fabaceae
Morus bombycis	Morus	Moraceae
Richteria pyrethroides	Richteria	Asteraceae
Xanthocercis zambesiaca	Xanthocercis	Fabaceae
Piper divaricatum	Piper	Piperaceae
Helichrysum drakensbergense	Helichrysum	Asteraceae
Santolina pectinata	Santolina	Asteraceae
Prosopis africana	Prosopis	Fabaceae
Commiphora sphaerocarpa	Commiphora	Burseraceae
Satureja vulgaris	Satureja	Lamiaceae
aglaonema treubii	Aglaonema	Araceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC126664	C8H15NO4	Castanospermine	189.1	-2.3448	1.79	-1.792	5	4	84.16	4	2	13	0
NPC157338	C14H20O7		300.120903	-2.4003	2.23	0.063	6	5	119.61	10	2	21	0
NPC290106	C6H13NO3	3-Epifagomine	147.09	-2.2173	1.68	-0.757	4	4	72.72	4	1	10	0
NPC299493	C14H20O7		300.120903	-2.4003	2.23	0.063	6	5	119.61	5	2	21	0
NPC306462	C6H13NO4	Duvoglustat	163.08	-2.44	1.57	-0.929	5	5	92.95	5	1	11	0
NPC34908	C4H8N2O3	(2S)-4-amino-2-azaniumyl-4-oxobutanoate	132.0534921	-1.1936	1.35	-3.301	5	4	107.4	3	0	9	0
NPC43601	C15H20O7		312.120903	-2.1881	2.34	0.682	6	5	119.61	5	2	22	0
NPC70574	C12H23NO8		309.1423667	-3.9642	1.79	-3.152	9	7	151.87	10	2	21	1
NPC75435	C7H15NO5		193.1	-2.9507	1.57	-1.172	6	6	113.18	7	1	13	1
NPC76726	C6H13NO3	Fagomine	147.09	-2.2173	1.68	-0.757	4	4	72.72	4	1	10	0
NPC8087	C6H13NO4	2,5-Dideoxy-2,5-Imino-D-Mannitol	163.08	-2.44	1.57	-0.929	5	5	92.95	6	1	11	0
NPC98750	C12H23NO8		309.1423667	-3.9642	1.79	-2.294	9	7	151.87	10	2	21	1

Download Data

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