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.

8 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC9067
Formula: C20H22O4

Common Name	4',5-O-Didemethylcyclogalgravin
IUPAC Name	(5R,6S)-5-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6-dihydronaphthalen-2-ol
Canonical SMILES	COc1cc(ccc1O)[C@H]1[C@H](C)C(=Cc2c1cc(OC)c(c2)O)C
Standard InCHI	InChI=1S/C20H22O4/c1-11-7-14-8-17(22)19(24-4)10-15(14)20(12(11)2)13-5-6-16(21)18(9-13)23-3/h5-10,12,20-22H,1-4H3/t12-,20-/m1/s1
Standard InCHIKey	HUMKWBMQEFNYGB-MPBGBICISA-N
Ingredient External Links	PubChem CID: 50900853 ChEMBL ID: CHEMBL3290510
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC9067]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae

Ingredient ID: NPC471908
Formula: C31H40O15

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H]([C@@H]([C@H]2O)O)CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C31H40O15/c32-9-17(5-15-1-3-19-21(7-15)43-13-41-19)18(6-16-2-4-20-22(8-16)44-14-42-20)11-39-31-29(38)27(36)26(35)24(46-31)12-40-30-28(37)25(34)23(10-33)45-30/h1-4,7-8,17-18,23-38H,5-6,9-14H2/t17-,18-,23-,24+,25-,26+,27-,28+,29+,30+,31+/m0/s1
Standard InCHIKey	WPNHBACLDIPKCT-MIKONVCNSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC471908]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae

Ingredient ID: NPC344161
Formula: C21H26O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(ccc1OC)C[C@H]([C@H](Cc1ccc2c(c1)OCO2)C)C
Standard InCHI	InChI=1S/C21H26O4/c1-14(9-16-5-7-18(22-3)20(11-16)23-4)15(2)10-17-6-8-19-21(12-17)25-13-24-19/h5-8,11-12,14-15H,9-10,13H2,1-4H3/t14-,15+/m1/s1
Standard InCHIKey	ZANBLNRUVUOABN-CABCVRRESA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC344161]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae

Ingredient ID: NPC301950
Formula: C2H2O4

Common Name	n.a.
IUPAC Name	hydron;oxalate
Canonical SMILES	OC(=O)C(=O)O
Standard InCHI	InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
Standard InCHIKey	MUBZPKHOEPUJKR-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 18676629
Plant-Ingredient Association Reference	Database: UNPD [UNPD123466] Database: NPASS [NPC301950]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cotyledon fimbriata turcz	Cotyledon	Crassulaceae
Spinacia oleracea	Spinacia	Chenopodiaceae
Hippophae rhamnoides	Hippophae	Elaeagnaceae
Capsicum annuum	Capsicum	Solanaceae
Cichorium glandulosum	Cichorium	Asteraceae
Artemisia scoparia	Artemisia	Asteraceae
Stemona tuberosa	Stemona	Stemonaceae
Schisandra glaucescens	Schisandra	Schisandraceae
Punica granatum	Punica	Lythraceae
Garcinia dulcis	Garcinia	Clusiaceae
Urtica dioica	Urtica	Urticaceae
Terminalia chebula	Terminalia	Combretaceae
Ephedra equisetina	Ephedra	Ephedraceae
Prunus mume	Prunus	Rosaceae
Pogostemon cablin	Pogostemon	Lamiaceae
Hippophae fructus	Hippophae	Elaeagnaceae
Equisetum hiemale	Equisetum	Equisetaceae
Chlamydomonas reinhardtii	Chlamydomonas	Chlamydomonadaceae
Isatis tinctoria	Isatis	Brassicaceae
Persicaria tinctoria	Persicaria	Polygonaceae
Cichorium intybus	Cichorium	Asteraceae

Ingredient ID: NPC274356
Formula: C20H24O4

Common Name	Austrobailignan 6
IUPAC Name	4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
Canonical SMILES	COc1cc(ccc1O)C[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)C)C
Standard InCHI	InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
Standard InCHIKey	QDDILOVMGWUNGD-UONOGXRCSA-N
Ingredient External Links	PubChem CID: 10404245 ZINC ID: ZINC000013108863 ChEMBL ID: CHEMBL254071
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC274356]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Hyptis tomentosa	Hyptis	Lamiaceae
Cephalonoplos segetum	Cephanonoplos	Asteraceae
Schisandra glaucescens	Schisandra	Schisandraceae
Helenium autumnale	Helenium	Asteraceae
Iryanthera lancifolia	Iryanthera	Myristicaceae
Lens phaseoloides	Lens	Fabaceae
Leucas aspera	Leucas	Lamiaceae
Ipomoea cristulata	Ipomoea	Convolvulaceae
Lophozonia menziesii	Lophozonia	Nothofagaceae
Myristica fragrans	Myristica	Myristicaceae
Rhodotypos scandens	Rhodotypos	Rosaceae
Pancratium trianthum	Pancratium	Amaryllidaceae
Piper pedicellosum	Piper	Piperaceae
Xanthostemon oppositifolius	Xanthostemon	Myrtaceae
Schisandra sphenanthera	Schisandra	Schisandraceae
Esenbeckia nesiotica	Esenbeckia	Rutaceae
Schisandra chinensis	Schisandra	Schisandraceae
Catalpa bignonioides	Catalpa	Bignoniaceae
Helipterum tenellum	Helipterum	Asteraceae

Ingredient ID: NPC271208
Formula: C20H20O5

Common Name	D-Epigalbacin
IUPAC Name	5-[(2S,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
Canonical SMILES	C[C@@H]1[C@H](O[C@@H]([C@@H]1C)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3/t11-,12+,19-,20-/m0/s1
Standard InCHIKey	QFUXQRHAJWXPGP-YLYZPZNOSA-N
Ingredient External Links	PubChem CID: 12310041 ChEMBL ID: CHEMBL2151191
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC271208]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae
Saururus chinensis	Saururus	Saururaceae

Ingredient ID: NPC24257
Formula: C21H22O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(ccc1OC)[C@@H]([C@@H](C(=O)C)C)OC(=O)c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C21H22O7/c1-12(13(2)22)20(14-5-7-16(24-3)18(9-14)25-4)28-21(23)15-6-8-17-19(10-15)27-11-26-17/h5-10,12,20H,11H2,1-4H3/t12-,20-/m1/s1
Standard InCHIKey	JTXRNQSIUILDTQ-MPBGBICISA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC24257]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae

Ingredient ID: NPC232316
Formula: C20H26O4

Common Name	Mesodihydroguaiaretic Acid
IUPAC Name	4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Canonical SMILES	COc1cc(ccc1O)C[C@H]([C@H](Cc1ccc(c(c1)OC)O)C)C
Standard InCHI	InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+
Standard InCHIKey	ADFOLUXMYYCTRR-OKILXGFUSA-N
Ingredient External Links	PubChem CID: 476856 ZINC ID: ZINC000015052537 ChEMBL ID: CHEMBL430464
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC232316]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Hyptis tomentosa	Hyptis	Lamiaceae
Cephalonoplos segetum	Cephanonoplos	Asteraceae
Schisandra glaucescens	Schisandra	Schisandraceae
Saururus chinensis	Saururus	Saururaceae
Machilus robusta	Machilus	Lauraceae
Lens phaseoloides	Lens	Fabaceae
Murraya koenigii	Murraya	Rutaceae
Ipomoea cristulata	Ipomoea	Convolvulaceae
Lophozonia menziesii	Lophozonia	Nothofagaceae
Myristica fragrans	Myristica	Myristicaceae
Rhodotypos scandens	Rhodotypos	Rosaceae
Pancratium trianthum	Pancratium	Amaryllidaceae
Piper pedicellosum	Piper	Piperaceae
Xanthostemon oppositifolius	Xanthostemon	Myrtaceae
Esenbeckia nesiotica	Esenbeckia	Rutaceae
Schisandra chinensis	Schisandra	Schisandraceae
Catalpa bignonioides	Catalpa	Bignoniaceae
Helipterum tenellum	Helipterum	Asteraceae

Ingredient ID: NPC227002
Formula: C20H22O4

Common Name	(+)-Isootobaphenol
IUPAC Name	4-[(5S,6S,7R)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-yl]-2-methoxyphenol
Canonical SMILES	COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)Cc2c1cc1OCOc1c2
Standard InCHI	InChI=1S/C20H22O4/c1-11-6-14-8-18-19(24-10-23-18)9-15(14)20(12(11)2)13-4-5-16(21)17(7-13)22-3/h4-5,7-9,11-12,20-21H,6,10H2,1-3H3/t11-,12+,20+/m1/s1
Standard InCHIKey	ZTNZPWXCSNAVLW-JGRMJRGVSA-N
Ingredient External Links	PubChem CID: 44447181 ChEMBL ID: CHEMBL428239
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC227002]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Hyptis tomentosa	Hyptis	Lamiaceae
Cephalonoplos segetum	Cephanonoplos	Asteraceae
Schisandra glaucescens	Schisandra	Schisandraceae
Lens phaseoloides	Lens	Fabaceae
Ipomoea cristulata	Ipomoea	Convolvulaceae
Lophozonia menziesii	Lophozonia	Nothofagaceae
Myristica fragrans	Myristica	Myristicaceae
Rhodotypos scandens	Rhodotypos	Rosaceae
Pancratium trianthum	Pancratium	Amaryllidaceae
Piper pedicellosum	Piper	Piperaceae
Xanthostemon oppositifolius	Xanthostemon	Myrtaceae
Esenbeckia nesiotica	Esenbeckia	Rutaceae
Catalpa bignonioides	Catalpa	Bignoniaceae
Helipterum tenellum	Helipterum	Asteraceae

Ingredient ID: NPC194208
Formula: C15H26O

Common Name	Alpha-Cadinol
IUPAC Name	(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
Canonical SMILES	CC1=C[C@@H]2[C@@H](CC1)[C@](C)(O)CC[C@H]2C(C)C
Standard InCHI	InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15+/m0/s1
Standard InCHIKey	LHYHMMRYTDARSZ-BYNSBNAKSA-N
Ingredient External Links	PubChem CID: 10398656 ChEMBL ID: CHEMBL486795
Plant-Ingredient Association Reference	PMID: 23373215 Database: NPASS [NPC194208]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tristania conferta	Tristania	Myrtaceae
Plectranthus myrianthus	Plectranthus	Lamiaceae
Pentaclethra macrophylla	Pentaclethra	Fabaceae
Veronica polita	Veronica	Plantaginaceae
Juniperus formosana	Juniperus	Cupressaceae
Glycosmis macrophylla	Glycosmis	Rutaceae
Cyperus capitatus	Cyperus	Cyperaceae
Stephania zippeliana	Stephania	Menispermaceae
Eucalyptus apodophylla	Eucalyptus	Myrtaceae
Acicarpha tribuloides	Acicarpha	Calyceraceae
Litsea nitida	Litsea	Lauraceae
Hypericum polyanthemum	Hypericum	Hypericaceae
Distephanus angulifolius	Distephanus	Asteraceae
Periploca sepium	Periploca	Apocynaceae
Vallaris heynei	Vallaris	Apocynaceae
Campylotropis hirtella	Campylotropis	Fabaceae
Tripterygium wilfordii	Tripterygium	Celastraceae
Dacryodes normandii	Dacryodes	Burseraceae
Riccia fluitans	Riccia	Ricciaceae
Delphinium tricorne	Delphinium	Ranunculaceae
Jatropha gossypiifolia	Jatropha	Euphorbiaceae
Tamarix dioica	Tamarix	Tamaricaceae
Corymbia citriodora	Corymbia	Myrtaceae
Boronia alata	Boronia	Rutaceae
Glaucium oxylobum	Glaucium	Papaveraceae
Lobelia langeana	Lobelia	Campanulaceae
Centaurea musimomum	Centaurea	Asteraceae
Pseudotsuga sinensis var. wilsoniana	Pseudotsuga	Pinaceae
Helleborus viridis	Helleborus	Ranunculaceae
Xanthium canadense	Xanthium	Asteraceae
Iris sibirica	Iris	Iridaceae
Haemanthus albiflos	Haemanthus	Amaryllidaceae
Sibiraea angustata	Sibiraea	Rosaceae
Valeriana officinalis	Valeriana	Caprifoliaceae
Peltophorum dubium	Peltophorum	Fabaceae
Hordeum bulbosum	Hordeum	Poaceae
Magnolia henryi	Magnolia	Magnoliaceae
Micromelum falcatum	Micromelum	Rutaceae
Breonia chinensis	Breonia	Rubiaceae
Eria siamensis	Eria	Orchidaceae
Prunus pseudocerasus	Prunus	Rosaceae
Vernonia aurea	Vernonia	Asteraceae
Centaurea arbutifolia	Centaurea	Asteraceae
Betula papyrifera	Betula	Betulaceae
Ephedra altissima	Ephedra	Ephedraceae
Bignonia unguiscati	Bignonia	Bignoniaceae
Maprounea guianensis	Maprounea	Euphorbiaceae
Senecio zoellneri	Senecio	Asteraceae
Coronilla hyrcana	Coronilla	Fabaceae
Erica cinerea	Erica	Ericaceae
Maytenus emarginata	Maytenus	Celastraceae
Schisandra glaucescens	Schisandra	Schisandraceae
Piper acutifolium	Piper	Piperaceae
Bidens tripartita	Bidens	Asteraceae
Hypericum japonicum	Hypericum	Hypericaceae
Genista sessilifolia	Genista	Fabaceae
Corydalis sewerzowi	Corydalis	Papaveraceae
Trapa bicornis	Trapa	Lythraceae
Mentha cardiaca	Mentha	Lamiaceae
Cacalia robusta	Cacalia	Asteraceae
Xyris indica	Xyris	Xyridaceae
Aconitum palmatum	Aconitum	Ranunculaceae
Rhodiola semenovii	Rhodiola	Crassulaceae
Onoseris alata	Onoseris	Asteraceae
Carpesium faberi	Carpesium	Asteraceae
Vellozia streptophylla	Vellozia	Velloziaceae
Aconitum tianschanicum	Aconitum	Ranunculaceae
Solanum diflorum	Solanum	Solanaceae
Staehelina fruticosa	Staehelina	Asteraceae
Gomphostemma parviflorum	Gomphostemma	Lamiaceae
Chlamydomonas allensworthii	Chlamydomonas	Chlamydomonadaceae
Hippobroma longiflora	Hippobroma	Campanulaceae
Psilotum nudum	Psilotum	Psilotaceae
Taiwania cryptomerioides	Taiwania	Cupressaceae
Codonopsis cordifolioidea	Codonopsis	Campanulaceae
Ariocarpus fissuratus	Ariocarpus	Cactaceae
Eriobotrya japonica	Eriobotrya	Rosaceae
Artemisia annua	Artemisia	Asteraceae
Panax ginseng	Panax	Araliaceae
Artemisia capillaries	Artemisia	Asteraceae
Crotalaria candicans	Crotalaria	Fabaceae
Flemingia philippinensis	Flemingia	Fabaceae
Isolona pilosa	Isolona	Annonaceae
Eria japonica	Eria	Orchidaceae
Salvia sessei	Salvia	Lamiaceae
Juniperus drupacea	Juniperus	Cupressaceae
Aniba rosaeodora	Aniba	Lauraceae
Ceropegia dichotoma	Ceropegia	Apocynaceae
Mulguraea tridens	Junellia	Verbenaceae
Cinnamomum philippinense	Cinnamomum	Lauraceae
Ononis spinosa	Ononis	Fabaceae
Bergenia crassifolia	Bergenia	Saxifragaceae
Salvia miniata	Salvia	Lamiaceae
Dahlstedtia pentaphylla	Dahlstedtia	Fabaceae
Crinum moorei	Crinum	Amaryllidaceae
Eucalyptus globulus subsp. bicostata	Eucalyptus	Myrtaceae
Peritassa campestris	Peritassa	Celastraceae
Lepechinia caulescens	Lepechinia	Lamiaceae
Camellia sinensis	Camellia	Theaceae
Dendrobium loddigesii	Dendrobium	Orchidaceae
Zanthoxylum schinifolium	Zanthoxylum	Rutaceae
Gypsophila perfoliata	Gypsophila	Caryophyllaceae
Aeschynanthus parvifolius	Aeschynanthus	Gesneriaceae
Pterocaulon virgatum	Pterocaulon	Asteraceae
Vernonia cistifolia	Vernonia	Asteraceae
Sonneratia caseolaris	Sonneratia	Lythraceae

Ingredient ID: NPC17348
Formula: C21H24O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(ccc1OC)[C@@H]1[C@@H](C)[C@H](C)Cc2c1cc1OCOc1c2
Standard InCHI	InChI=1S/C21H24O4/c1-12-7-15-9-19-20(25-11-24-19)10-16(15)21(13(12)2)14-5-6-17(22-3)18(8-14)23-4/h5-6,8-10,12-13,21H,7,11H2,1-4H3/t12-,13+,21+/m1/s1
Standard InCHIKey	KLVQONDOFFKFBN-BHVCSQLQSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC17348]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae

Ingredient ID: NPC158471
Formula: C21H24O5

Common Name	(-)-Machilusin
IUPAC Name	5-[(2S,3S,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
Canonical SMILES	COc1cc(ccc1OC)[C@H]1O[C@@H]([C@H]([C@H]1C)C)c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C21H24O5/c1-12-13(2)21(15-6-8-17-19(10-15)25-11-24-17)26-20(12)14-5-7-16(22-3)18(9-14)23-4/h5-10,12-13,20-21H,11H2,1-4H3/t12-,13+,20+,21+/m1/s1
Standard InCHIKey	HSMDOSKNXLVXIP-KNRKYQCFSA-N
Ingredient External Links	PubChem CID: 45268387 ChEMBL ID: CHEMBL559937
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC158471]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae

Ingredient ID: NPC156376
Formula: C26H32O11

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C26H32O11/c27-9-16(5-14-1-3-18-20(7-14)35-12-33-18)17(6-15-2-4-19-21(8-15)36-13-34-19)11-32-26-25(31)24(30)23(29)22(10-28)37-26/h1-4,7-8,16-17,22-31H,5-6,9-13H2/t16-,17-,22+,23+,24-,25+,26+/m0/s1
Standard InCHIKey	RYQGXMHEFILHCV-DNABOVRESA-N
Ingredient External Links	ZINC ID: ZINC000085540866
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC156376]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae

Ingredient ID: NPC153620
Formula: C21H22O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(ccc1OC)C(=O)O[C@H]([C@@H](C(=O)C)C)c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C21H22O7/c1-12(13(2)22)20(14-5-8-17-19(9-14)27-11-26-17)28-21(23)15-6-7-16(24-3)18(10-15)25-4/h5-10,12,20H,11H2,1-4H3/t12-,20-/m1/s1
Standard InCHIKey	QOWUMGSABYJQDH-MPBGBICISA-N
Ingredient External Links	ZINC ID: ZINC000014694304
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC153620]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae
Schisandra neglecta	Schisandra	Schisandraceae

Ingredient ID: NPC142547
Formula: C20H22O5

Common Name	(+)-Chicanine
IUPAC Name	4-[(2S,3R,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Canonical SMILES	COc1cc(ccc1O)[C@H]1O[C@@H]([C@H]([C@H]1C)C)c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12+,19+,20+/m1/s1
Standard InCHIKey	JPDORDSJPIKURD-JJWOIWCPSA-N
Ingredient External Links	PubChem CID: 53360432 ZINC ID: ZINC000169348840 ChEMBL ID: CHEMBL3290511
Plant-Ingredient Association Reference	PMID: 24927000 Database: NPASS [NPC142547]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Schisandra glaucescens	Schisandra	Schisandraceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC142547	C20H22O5	(+)-Chicanine	342.15	-0.8029	3.11	3.376	1	1	57.15	7	4	25	0
NPC153620	C21H22O7		386.14	-0.5069	3	2.915	3	0	80.29	12	3	28	0
NPC156376	C26H32O11		520.19	-3.2195	3.11	1.492	7	5	156.53	15	5	37	0
NPC158471	C21H24O5	(-)-Machilusin	356.16	-0.3944	3.22	3.895	1	0	46.15	8	4	26	0
NPC17348	C21H24O4		340.17	0.1802	3.33	5.556	0	0	36.92	7	4	25	1
NPC194208	C15H26O	Alpha-Cadinol	222.2	1.3641	3	4.476	1	1	20.23	6	2	16	0
NPC227002	C20H22O4	(+)-Isootobaphenol	326.15	-0.2283	3.22	5.037	0	1	47.92	6	4	24	1
NPC232316	C20H26O4	Mesodihydroguaiaretic Acid	330.18	-0.115	3.22	5.238	0	2	58.92	13	2	24	1
NPC24257	C21H22O7		386.14	-0.5069	3	2.915	3	0	80.29	12	3	28	0
NPC271208	C20H20O5	D-Epigalbacin	340.13	-0.5935	3.11	3.822	1	0	46.15	4	5	25	0
NPC274356	C20H24O4	Austrobailignan 6	328.17	0.0944	3.22	5.684	0	1	47.92	10	3	24	1
NPC301950	C2H2O4		89.99530854	-0.4796	1.24	-0.688	4	2	74.6	3	0	6	0
NPC344161	C21H26O4		342.18	0.5029	3.33	6.203	0	0	36.92	11	3	25	1
NPC471908	C31H40O15		652.24	-4.4557	3.22	0.198	11	7	215.45	20	6	46	3
NPC9067	C20H22O4	4',5-O-Didemethylcyclogalgravin	326.15	0.0219	3.22	3.991	0	2	58.92	9	3	24	0

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