CMAUP Plant Ingredients

18 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: NPC74178
Formula: C20H16O6

Common Name	n.a.
IUPAC Name	5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1)occ(c2=O)c1cc(O)c2c(c1)C=CC(O2)(C)C
Standard InCHI	InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3
Standard InCHIKey	LWZACZCRAUQSLH-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5481948 ZINC ID: ZINC000013125765
Plant-Ingredient Association Reference	Database: NPASS [NPC74178]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Mitracarpus scaber	Mitracarpus	Rubiaceae
Glycyrrhiza	Glycyrrhiza	Fabaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Glycyrrhiza aspera	Glycyrrhiza	Fabaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae

Ingredient ID: NPC71739
Formula: C21H20O6

Common Name	n.a.
IUPAC Name	3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(2-methylbut-3-en-2-yl)chromen-2-one
Canonical SMILES	C=CC(c1c(O)cc(c2c1oc(=O)c(c2)c1ccc(cc1O)O)OC)(C)C
Standard InCHI	InChI=1S/C21H20O6/c1-5-21(2,3)18-16(24)10-17(26-4)14-9-13(20(25)27-19(14)18)12-7-6-11(22)8-15(12)23/h5-10,22-24H,1H2,2-4H3
Standard InCHIKey	LCRIQVFKVCYUAO-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10090416 ZINC ID: ZINC000059778202
Plant-Ingredient Association Reference	Database: NPASS [NPC71739]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Mitracarpus scaber	Mitracarpus	Rubiaceae
Glycyrrhiza	Glycyrrhiza	Fabaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae

Ingredient ID: NPC6688
Formula: C21H22O4

Common Name	n.a.
IUPAC Name	3-(5-methoxy-2,2-dimethylchromen-8-yl)-3,4-dihydro-2H-chromen-7-ol
Canonical SMILES	COc1ccc(c2c1C=CC(O2)(C)C)C1COc2c(C1)ccc(c2)O
Standard InCHI	InChI=1S/C21H22O4/c1-21(2)9-8-17-18(23-3)7-6-16(20(17)25-21)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3
Standard InCHIKey	MPNLCWDBGXOCFP-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 101666685
Plant-Ingredient Association Reference	Database: TCMID [8143]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae

Ingredient ID: NPC47204
Formula: C26H30O13

Common Name	n.a.
IUPAC Name	(E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
Canonical SMILES	OCC1OC(Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)C(C(C1O)O)OC1OCC(C1O)(O)CO
Standard InCHI	InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+
Standard InCHIKey	VMMVZVPAYFZNBM-FPYGCLRLSA-N
Ingredient External Links	PubChem CID: 6475724
Plant-Ingredient Association Reference	Database: TCMID [27613]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae

Ingredient ID: NPC39024
Formula: C27H30O14

Common Name	n.a.
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
Canonical SMILES	OCC1O[C@H](C([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@@H](C)[C@@H](C(C2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
Standard InCHI	InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)27(39-8)16-20(34)15(26-24(38)22(36)18(32)13(7-28)41-26)19(33)14-11(30)6-12(40-25(14)16)9-2-4-10(29)5-3-9/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8-,13?,17-,18+,21?,22-,23?,24?,26-,27-/m0/s1
Standard InCHIKey	MVOUGOXRXQDXDC-DZGUJOOGSA-N
Ingredient External Links	PubChem CID: 44257675
Plant-Ingredient Association Reference	Database: TCMID [22503]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Glycyrrhiza kansuensis	Glycyrrhiza	Fabaceae

Ingredient ID: NPC27794
Formula: C26H28O14

Common Name	n.a.
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Canonical SMILES	OCC1O[C@H](C([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2OC[C@@H]([C@@H](C2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O
Standard InCHI	InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13?,17-,18+,21-,22?,23?,25-,26-/m0/s1
Standard InCHIKey	OVMFOVNOXASTPA-ICQLDYLPSA-N
Ingredient External Links	PubChem CID: 44257699
Plant-Ingredient Association Reference	Database: TCMID [11694]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia apiacea	Artemisia	Asteraceae
Vitex negundo	Vitex	Lamiaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Lysimachia christinae	Lysimachia	Primulaceae
Arisaema heterophyllum	Arisaema	Araceae
Artemisia annua	Artemisia	Asteraceae
Arisaema amurense	Arisaema	Araceae
Scutellaria baicalensis	Scutellaria	Lamiaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Desmodium styracifolium	Desmodium	Fabaceae
Portulaca oleracea	Portulaca	Portulacaceae
Arisaema erubescens	Arisaema	Araceae
Acorus gramineus	Acorus	Acoraceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae
Acorus tatarinowii	Acorus	Acoraceae

Ingredient ID: NPC276734
Formula: C20H18O6

Common Name	n.a.
IUPAC Name	4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
Canonical SMILES	Oc1ccc(cc1)c1coc2c(c1=O)c(O)c1c(c2)OC(C1)C(O)(C)C
Standard InCHI	InChI=1S/C20H18O6/c1-20(2,24)16-7-12-14(26-16)8-15-17(18(12)22)19(23)13(9-25-15)10-3-5-11(21)6-4-10/h3-6,8-9,16,21-22,24H,7H2,1-2H3
Standard InCHIKey	NNBVKGDFOQADTG-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 44257283
Plant-Ingredient Association Reference	Database: TCMID [7332]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Cullen corylifolium	Cullen	Fabaceae

Ingredient ID: NPC27322
Formula: C25H24O4

Common Name	n.a.
IUPAC Name	2-(2,2-dimethylchromen-6-yl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Canonical SMILES	O=C1CC(Oc2c1ccc1c2C=CC(O1)(C)C)c1ccc2c(c1)C=CC(O2)(C)C
Standard InCHI	InChI=1S/C25H24O4/c1-24(2)11-9-16-13-15(5-7-20(16)28-24)22-14-19(26)17-6-8-21-18(23(17)27-22)10-12-25(3,4)29-21/h5-13,22H,14H2,1-4H3
Standard InCHIKey	FGJUXFVUOCKRCY-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 14769500
Plant-Ingredient Association Reference	Database: TCMID [22727]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae

Ingredient ID: NPC257072
Formula: C21H24O10

Common Name	n.a.
IUPAC Name	1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one
Canonical SMILES	OCC1O[C@@H](OC(C(=O)c2ccc(cc2O)O)Cc2ccc(cc2)O)C([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15(7-10-1-3-11(23)4-2-10)17(26)13-6-5-12(24)8-14(13)25/h1-6,8,15-16,18-25,27-29H,7,9H2/t15?,16?,18-,19+,20?,21-/m1/s1
Standard InCHIKey	GATJXNOZPSWBQU-XSWPGRQDSA-N
Ingredient External Links	PubChem CID: 42607722
Plant-Ingredient Association Reference	Database: TCMID [12756]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glycyrrhiza pallidiflora	Glycyrrhiza	Fabaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Eucommia ulmoides	Eucommia	Eucommiaceae

Ingredient ID: NPC24821
Formula: C20H18O6

Common Name	Licoflavonol
IUPAC Name	3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Canonical SMILES	CC(=CCc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)O)C
Standard InCHI	InChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15-16(17(13)23)18(24)19(25)20(26-15)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3
Standard InCHIKey	TVMHBSODLWMMMV-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5481964 ZINC ID: ZINC000014762755 ChEMBL ID: CHEMBL600185
Plant-Ingredient Association Reference	Database: NPASS [NPC24821]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Mitracarpus scaber	Mitracarpus	Rubiaceae
Erysimum leptophyllum	Erysimum	Brassicaceae
Chondrodendron tomentosum	Chondrodendron	Menispermaceae
Haplophyllum obtusifolium	Haplophyllum	Rutaceae
Syzygium polycephaloides	Syzygium	Myrtaceae
Glycyrrhiza	Glycyrrhiza	Fabaceae
Piper regnellii	Piper	Piperaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Gymnocalycium schickendantzii	Gymnocalycium	Cactaceae
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Onopordum acanthium	Onopordum	Asteraceae
Pancratium sickenbergeri	Pancratium	Amaryllidaceae
Centaurea maculosa	Centaurea	Asteraceae
Ephedra sinica	Ephedra	Ephedraceae
Plathymenia reticulata	Plathymenia	Fabaceae
Asimina parviflora	Asimina	Annonaceae
Pteridium esculentum	Pteridium	Dennstaedtiaceae
Esenbeckia leiocarpa	Esenbeckia	Rutaceae
Sophora flavescens	Sophora	Fabaceae
Hypericum styphelioides	Hypericum	Hypericaceae
Vellozia nanuzae	Vellozia	Velloziaceae
Baccharis neglecta	Baccharis	Asteraceae
Atraphaxis spinosa	Atraphaxis	Polygonaceae
Embelia schimperi	Embelia	Primulaceae
Epilobium hirsutum	Epilobium	Onagraceae
Lythrum salicaria	Lythrum	Lythraceae
Simarouba glauca	Simarouba	Simaroubaceae
Erythrina melanacantha	Erythrina	Fabaceae
Monsonia senegalensis	Monsonia	Geraniaceae
Clerodendrum bungei	Clerodendrum	Lamiaceae
Lemaireocereus longispinus	Lemaireocereus	Cactaceae
Eria anomala	Eria	Orchidaceae
Embelia parviflora	Embelia	Primulaceae
Euphorbia nematocypha	Euphorbia	Euphorbiaceae
Abelia chinensis	Abelia	Caprifoliaceae
Diospyros assimilis	Diospyros	Ebenaceae
Faramea salicifolia	Faramea	Rubiaceae
Vernonia fagifolia	Vernonia	Asteraceae
Cordia leucocephala	Cordia	Cordiaceae
Helichrysum tenuifolium	Helichrysum	Asteraceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Morella rubra	Morella	Myricaceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae

Ingredient ID: NPC244750
Formula: C20H16O5

Common Name	n.a.
IUPAC Name	3,9-dihydroxy-4-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
Canonical SMILES	CC(=CCc1c(O)ccc2c1oc(=O)c1c2oc2c1ccc(c2)O)C
Standard InCHI	InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-18(12)25-20(23)17-13-6-4-11(21)9-16(13)24-19(14)17/h3-4,6-9,21-22H,5H2,1-2H3
Standard InCHIKey	FRXPSBUCIWPZMH-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 44257530 ZINC ID: ZINC000014650485
Plant-Ingredient Association Reference	Database: NPASS [NPC244750]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Glycyrrhiza	Glycyrrhiza	Fabaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae

Ingredient ID: NPC230861
Formula: C27H30O15

Common Name	n.a.
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Canonical SMILES	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1OC(CO[C@@H]2OC(C)[C@@H]([C@@H](C2O)O)O)[C@H](C(C1O)O)O)O
Standard InCHI	InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9?,15?,17-,18+,20-,21?,22?,23?,26+,27-/m0/s1
Standard InCHIKey	RTATXGUCZHCSNG-SRZXWKELSA-N
Ingredient External Links	PubChem CID: 44258806
Plant-Ingredient Association Reference	Database: TCMID [15516]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Rubus idaeus	Rubus	Rosaceae
Sophora japonica	Sophora	Fabaceae
Urtica dioica	Urtica	Urticaceae
Ginkgo biloba	Ginkgo	Ginkgoaceae
Sinoadina racemosa	Sinoadina	Rubiaceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae
Tribulus terrestris	Tribulus	Zygophyllaceae

Ingredient ID: NPC178014
Formula: C16H12O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc2c(c1)OCC1C2Oc2c1cc1c(c2)OCO1
Standard InCHI	InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2
Standard InCHIKey	HUKSJTUUSUGIDC-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 363863 ChEMBL ID: CHEMBL239047
Plant-Ingredient Association Reference	Database: NPASS [NPC178014]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Andira inermis	Andira	Fabaceae
Sophora flavescens	Sophora	Fabaceae
Lythrum salicaria	Lythrum	Lythraceae
Sophora japonica	Sophora	Fabaceae
Sophora tomentosa	Sophora	Fabaceae
Erycibe expansa	Erycibe	Convolvulaceae
Derris scandens	Derris	Fabaceae
Sophora tonkinensis	Sophora	Fabaceae
Picrasma quassioides	Picrasma	Simaroubaceae

Ingredient ID: NPC169250
Formula: C20H20O4

Common Name	Licoagrochalcone A
IUPAC Name	(E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Canonical SMILES	CC(=CCc1cc(/C=C/C(=O)c2ccc(cc2O)O)ccc1O)C
Standard InCHI	InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
Standard InCHIKey	TVUGLERLRIQATC-BJMVGYQFSA-N
Ingredient External Links	PubChem CID: 11099375 ChEMBL ID: CHEMBL229885
Plant-Ingredient Association Reference	Database: NPASS [NPC169250]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glycyrrhiza	Glycyrrhiza	Fabaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Erythrina abyssinica	Erythrina	Fabaceae

Ingredient ID: NPC168085
Formula: C20H16O5

Common Name	n.a.
IUPAC Name	(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Canonical SMILES	CC(=C)[C@@H]1Oc2c(C1)c(O)c1c(c2)occ(c1=O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C20H16O5/c1-10(2)15-7-13-16(25-15)8-17-18(19(13)22)20(23)14(9-24-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-22H,1,7H2,2H3/t15-/m1/s1
Standard InCHIKey	CQXOSSCKEFRIBR-OAHLLOKOSA-N
Ingredient External Links	PubChem CID: 636883 ZINC ID: ZINC000032296427
Plant-Ingredient Association Reference	Database: NPASS [NPC168085]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glycyrrhiza pallidiflora	Glycyrrhiza	Fabaceae
Glycyrrhiza	Glycyrrhiza	Fabaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Crotalaria lachnophora	Crotalaria	Fabaceae

Ingredient ID: NPC146679
Formula: C17H14O6

Common Name	Kumatakenin
IUPAC Name	5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxychromen-4-one
Canonical SMILES	COc1c(oc2c(c1=O)c(O)cc(c2)OC)c1ccc(cc1)O
Standard InCHI	InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
Standard InCHIKey	BJBUTJQYZDYRMJ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5318869 ZINC ID: ZINC000005732364 ChEMBL ID: CHEMBL349724
Plant-Ingredient Association Reference	Database: NPASS [NPC146679]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Mitracarpus scaber	Mitracarpus	Rubiaceae
Artemisia capillaris	Artemisia	Asteraceae
Millettia zechiana	Millettia	Fabaceae
Pseudoscleropodium purum	Pseudoscleropodium	Brachytheciaceae
Teucrium nuchense	Teucrium	Lamiaceae
Sorbus domestica	Sorbus	Rosaceae
Uvaria cherrevensis	Uvaria	Annonaceae
Acacia acuminata	Acacia	Fabaceae
Hippeastrum papilio	Hippeastrum	Amaryllidaceae
Glycyrrhiza	Glycyrrhiza	Fabaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Senecio kaempferi	Senecio	Asteraceae
Epimedium pubescens	Epimedium	Berberidaceae
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Varthemia iphionoides	Varthemia	Asteraceae
Isodon coetsa	Isodon	Lamiaceae
Berberis repens	Berberis	Berberidaceae
Mosla chinensis	Mosla	Lamiaceae
Melia azedarach	Melia	Meliaceae
Delphinium brownii	Delphinium	Ranunculaceae
Melicope semecarpifolia	Melicope	Rutaceae
Glycyrrhiza echinata	Glycyrrhiza	Fabaceae
Kalopanax septemlobus	Kalopanax	Araliaceae
Lycopodium contiguum	Lycopodium	Lycopodiaceae
Elsholtzia ciliata	Elsholtzia	Lamiaceae
Robinsonia gracilis	Robinsonia	Asteraceae
Polygala arillata	Polygala	Polygalaceae
Pteris bella	Pteris	Pteridaceae
Sedum litoreum	Sedum	Crassulaceae
Trichilia heudelotii	Trichilia	Meliaceae
Andromeda polifolia	Andromeda	Ericaceae
Elsholtzia splendens	Elsholtzia	Lamiaceae
Scapania bolanderi	Scapania	Scapaniaceae
Argyrochosma pilifera	Argyrochosma	Pteridaceae
Gymnopetalum integrifolium	Gymnopetalum	Cucurbitaceae
Genista lydia	Genista	Fabaceae
Astragalus membranaceus	Astragalus	Fabaceae
Hedysarum multijugum maxim	Hedysarum	Fabaceae
Vincetoxicum forrestii	Vincetoxicum	Apocynaceae
Salvia przewalskii	Salvia	Lamiaceae
Diphasiastrum thyoides	Diphasiastrum	Lycopodiaceae
Wyethia mollis	Wyethia	Asteraceae
Mundulea striata	Mundulea	Fabaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Pogostemon cablin	Pogostemon	Lamiaceae
Teucrium asiaticum	Teucrium	Lamiaceae
Acalypha australis	Acalypha	Euphorbiaceae
Euphorbia myrsinites	Euphorbia	Euphorbiaceae
Vicia amurensis	Vicia	Fabaceae
Nectandra rubra	Nectandra	Lauraceae
Millettia ferruginea	Millettia	Fabaceae
Panda oleosa	Panda	Pandaceae
Thermopsis dolichocarpa	Thermopsis	Fabaceae
Limnocharis flava	Limnocharis	Alismataceae
Amaranthus hypochondriacus	Amaranthus	Amaranthaceae
Frasera caroliniensis	Frasera	Gentianaceae
Zanthoxylum fraxineum	Zanthoxylum	Rutaceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae
Helicteres angustifolia	Helicteres	Malvaceae
Senecio viscosus	Senecio	Asteraceae
Croton laccifer	Croton	Euphorbiaceae
Phyllanthus virgatus	Phyllanthus	Phyllanthaceae

Ingredient ID: NPC13768
Formula: C15H12O4

Common Name	(R)-Pinocembrin
IUPAC Name	(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Canonical SMILES	Oc1cc2O[C@H](CC(=O)c2c(c1)O)c1ccccc1
Standard InCHI	InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m1/s1
Standard InCHIKey	URFCJEUYXNAHFI-CYBMUJFWSA-N
Ingredient External Links	PubChem CID: 667544 ChEMBL ID: CHEMBL399249
Plant-Ingredient Association Reference	Database: NPASS [NPC13768]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Humulus lupulus	Humulus	Cannabaceae
Pseudotsuga sinensis var. wilsoniana	Pseudotsuga	Pinaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Dalbergia odorifera	Dalbergia	Fabaceae
Polygonatum zanlanscianense	Polygonatum	Asparagaceae
Maprounea guianensis	Maprounea	Euphorbiaceae
Rhododendron dauricum	Rhododendron	Ericaceae
Syzygium samarangense	Syzygium	Myrtaceae
Punica granatum	Punica	Lythraceae
Helichrysum italicum	Helichrysum	Asteraceae
Euphorbia hirta	Euphorbia	Euphorbiaceae
Pteris cretica var. nervosa	Pteris	Pteridaceae
Oroxylum indicum	Oroxylum	Bignoniaceae
Piper nigrum	Piper	Piperaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Broussonetia papyrifera	Broussonetia	Moraceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae
Peritassa campestris	Peritassa	Celastraceae
Gypsophila licentiana hand.-mazz.	Gypsophila	Caryophyllaceae
Lepechinia caulescens	Lepechinia	Lamiaceae

Ingredient ID: NPC135743
Formula: C21H20O6

Common Name	n.a.
IUPAC Name	3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one
Canonical SMILES	COc1c(CC=C(C)C)c(O)cc(c1c1coc2c(c1=O)ccc(c2)O)O
Standard InCHI	InChI=1S/C21H20O6/c1-11(2)4-6-13-16(23)9-17(24)19(21(13)26-3)15-10-27-18-8-12(22)5-7-14(18)20(15)25/h4-5,7-10,22-24H,6H2,1-3H3
Standard InCHIKey	SSDIPYMSXRNGMZ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10361658 ZINC ID: ZINC000014762985
Plant-Ingredient Association Reference	Database: TCMID [8551]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Mitracarpus scaber	Mitracarpus	Rubiaceae
Glycyrrhiza	Glycyrrhiza	Fabaceae
Glycyrrhiza sp.	Glycyrrhiza	Fabaceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC135743	C21H20O6	3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one	368.1259884	-0.222	3.11	2.538	1	3	96.22	4	3	27	0
NPC13768	C15H12O4	(R)-Pinocembrin	256.07	-1.3541	2.67	2.493	1	2	66.76	3	3	19	0
NPC146679	C17H14O6	Kumatakenin	314.08	-1.8679	2.67	2.326	2	2	85.22	7	3	23	0
NPC168085	C20H16O5		336.0997736	-0.5755	3.11	2.437	1	2	75.99	5	4	25	0
NPC169250	C20H20O4	Licoagrochalcone A	324.14	0.5938	3.22	4.234	1	3	77.76	10	2	24	0
NPC178014	C16H12O5		284.07	-1.4161	2.67	1.797	0	1	57.15	1	5	21	0
NPC230861	C27H30O15	5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one	594.1584703	-5.6787	2.78	-0.654	11	9	245.29	6	5	42	2
NPC244750	C20H16O5		336.0997736	0.7116	3.11	3.422	1	2	79.9	6	4	25	0
NPC24821	C20H18O6	Licoflavonol	354.11	-0.4635	3	3.385	2	4	107.22	9	3	26	0
NPC257072	C21H24O10	1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one	436.136947	-3.9466	2.67	0.429	7	7	177.14	7	3	31	1
NPC27322	C25H24O4		388.1674592	1.3821	3.77	4.66	4	0	44.76	1	5	29	0
NPC276734	C20H18O6	4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one	354.1103383	-1.5956	3	2.073	2	3	96.22	2	4	26	0
NPC27794	C26H28O14	5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one	564.1479056	-5.8452	2.78	-2.34	10	10	247.06	4	5	40	1
NPC39024	C27H30O14	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one	578.1635556	-5.8559	2.89	-1.88	10	10	247.06	4	5	41	1
NPC47204	C26H30O13	(E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one	550.168641	-4.4392	2.89	0.319	10	8	215.83	9	4	39	1
NPC6688	C21H22O4		338.1518092	0.2683	3.33	3.726	4	1	47.92	2	4	25	0
NPC71739	C21H20O6		368.1259884	0.3701	3.11	3.256	1	3	96.22	10	3	27	0
NPC74178	C20H16O6		352.0946882	-1.1398	3	1.949	1	3	96.22	6	4	26	0

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