21 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: NPC84666
Formula: C5H7NO2
Ingredient ID: NPC84666
| Common Name | n.a. |
| IUPAC Name | (2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one |
| Canonical SMILES | O[C@H]1C=C(C(=N1)O)C |
| Standard InCHI | InChI=1S/C5H7NO2/c1-3-2-4(7)6-5(3)8/h2,4,7H,1H3,(H,6,8)/t4-/m0/s1 |
| Standard InCHIKey | DORDKUBCRPNETF-BYPYZUCNSA-N |
| Ingredient External Links |
PubChem CID: 5325835 |
| Plant-Ingredient Association Reference |
Database: TCMID [11839] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Jatropha curcas | Jatropha | Euphorbiaceae |
  |
| Lilium hansonii | Lilium | Liliaceae |
|
Ingredient ID: NPC60942
Formula: C40H56O2
Ingredient ID: NPC60942
| Common Name | n.a. |
| IUPAC Name | 1,5,5-trimethyl-6-[(1E,3Z,5Z,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol |
| Canonical SMILES | C/C(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)/C)/C)/C=CC=C(/C=C/C12OC2(C)CC(CC1(C)C)O)C |
| Standard InCHI | InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13+,19-14-,24-23+,27-25+,30-16+,31-17+,32-20+,33-21- |
| Standard InCHIKey | CMOLUFWHADIFGS-CEJQPHOLSA-N |
| Ingredient External Links |
PubChem CID: 5316151 |
| Plant-Ingredient Association Reference |
Database: TCMID [30832] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caltha palustris | Caltha | Ranunculaceae |
|
| Physalis alkekengi | Physalis | Solanaceae |
|
| Zea mays | Zea | Poaceae |
 |
| Capsicum annuum | Capsicum | Solanaceae |
 |
| Lycium chinense | Lycium | Solanaceae |
|
| Lycium barbarum | Lycium | Solanaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
Ingredient ID: NPC313059
Formula: C34H46O2
Ingredient ID: NPC313059
| Common Name | n.a. |
| IUPAC Name | (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]hexadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol |
| Canonical SMILES | O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C1=C(C)C[C@H](CC1(C)C)O)C |
| Standard InCHI | InChI=1S/C34H46O2/c1-27-23-29(35)25-33(3,4)31(27)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-32-28(2)24-30(36)26-34(32,5)6/h7-22,29-30,35-36H,23-26H2,1-6H3/b9-7+,10-8+,13-11+,14-12+,17-15+,18-16+,21-19+,22-20+/t29-,30-/m1/s1 |
| Standard InCHIKey | LTAFGCWFKPSPGC-XLVNMLQSSA-N |
| Ingredient External Links |
PubChem CID: 29921731 |
| Plant-Ingredient Association Reference |
Database: TCMID [22960] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hippophae rhamnoides | Hippophae | Elaeagnaceae |
|
| Zea mays | Zea | Poaceae |
|
| Capsicum annuum | Capsicum | Solanaceae |
|
| Lycium chinense | Lycium | Solanaceae |
|
| Lycium barbarum | Lycium | Solanaceae |
|
| Citrus reticulata | Citrus | Rutaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Cycas revoluta | Cycas | Cycadaceae |
|
| Citrus aurantium | Citrus | Rutaceae |
|
| Crocus sativus | Crocus | Iridaceae |
|
Ingredient ID: NPC270805
Formula: C4H9NO3
Ingredient ID: NPC270805
| Common Name | n.a. |
| IUPAC Name | (2S,3S)-2-azaniumyl-3-hydroxybutanoate |
| Canonical SMILES | C[C@@H]([C@@H](C(=O)O)N)O |
| Standard InCHI | InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1 |
| Standard InCHIKey | AYFVYJQAPQTCCC-HRFVKAFMSA-N |
| Ingredient External Links |
PubChem CID: 6995276 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD131423] Database: NPASS [NPC270805] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Lilium hansonii | Lilium | Liliaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC265829
Formula: C3H7NO5S
Ingredient ID: NPC265829
| Common Name | n.a. |
| IUPAC Name | (2R)-2-amino-3-sulfopropanoic acid |
| Canonical SMILES | OC(=O)[C@H](CS(=O)(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 |
| Standard InCHIKey | XVOYSCVBGLVSOL-REOHCLBHSA-N |
| Ingredient External Links |
PubChem CID: 72886 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD164697] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Lilium hansonii | Lilium | Liliaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC245027
Formula: C6H13NO2
Ingredient ID: NPC245027
| Common Name | n.a. |
| IUPAC Name | (2S)-2-amino-4-methylpentanoic acid |
| Canonical SMILES | N[C@H](C(=O)O)CC(C)C |
| Standard InCHI | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 |
| Standard InCHIKey | ROHFNLRQFUQHCH-YFKPBYRVSA-N |
| Ingredient External Links |
PubChem CID: 6106; 7045798 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD61258] Database: NPASS [NPC245027] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Santalum album | Santalum | Santalaceae |
|
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Brassica juncea | Brassica | Brassicaceae |
|
| Pogostemon cablin | Pogostemon | Lamiaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Chlamydomonas reinhardtii | Chlamydomonas | Chlamydomonadaceae | |
| Arum ternatum thunb | Arum | Araceae | |
| Tussilago farfara | Tussilago | Asteraceae |
|
| Allium sativum | Allium | Amaryllidaceae |
|
| Sinapis alba | Sinapis | Brassicaceae |
|
| Centipeda minima | Centipeda | Asteraceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC237812
Formula: C6H9N3O2
Ingredient ID: NPC237812
| Common Name | Histidine |
| IUPAC Name | (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid |
| Canonical SMILES | N[C@H](C(=O)O)Cc1cnc[nH]1 |
| Standard InCHI | InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 |
| Standard InCHIKey | HNDVDQJCIGZPNO-YFKPBYRVSA-N |
| Ingredient External Links |
PubChem CID: 6274;6971009 ChEMBL ID: CHEMBL17962 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD182729] Database: NPASS [NPC237812] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus dulcis | Prunus | Rosaceae |
|
| Cornus officinalis | Cornus | Cornaceae |
|
| Pyrus pyraster | Pyrus | Rosaceae |
|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Astragalus oxyphysus | Astragalus | Fabaceae | |
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Codonopsis pilosula | Codonopsis | Campanulaceae |
|
| Hydrodictyon reticulatum | Hydrodictyon | Hydrodictyaceae |
|
| Santalum album | Santalum | Santalaceae |
|
| Senecio candollei | Senecio | Asteraceae | |
| Pinellia ternata | Pinellia | Araceae |
|
| Polyscias scutellaria | Polyscias | Araliaceae |
|
| Centaurea glastifolia | Centaurea | Asteraceae | |
| Grindelia havardii | Grindelia | Asteraceae | |
| Nephelium maingayi | Nephelium | Sapindaceae |
|
| Galanthus nivalis | Galanthus | Amaryllidaceae |
|
| Euphorbia armena | Euphorbia | Euphorbiaceae | |
| Atractylodes macrocephala koidz | Atractylodes | Asteraceae | |
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Brassica juncea | Brassica | Brassicaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Chlamydomonas reinhardtii | Chlamydomonas | Chlamydomonadaceae | |
| Arum ternatum thunb | Arum | Araceae | |
| Allium sativum | Allium | Amaryllidaceae |
|
| Sinapis alba | Sinapis | Brassicaceae |
|
| Trigonella foenum-graecum | Trigonella | Fabaceae |
|
| Cuscuta reflexa | Cuscuta | Convolvulaceae |
|
| Plantago depressa | Plantago | Plantaginaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC226453
Formula: C6H14N4O2
Ingredient ID: NPC226453
| Common Name | Arginine |
| IUPAC Name | (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate |
| Canonical SMILES | NC(=N)NCCC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 |
| Standard InCHIKey | ODKSFYDXXFIFQN-BYPYZUCNSA-N |
| Ingredient External Links |
PubChem CID: 28782;6322 ChEMBL ID: CHEMBL1485 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD20394] Database: NPASS [NPC226453] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus dulcis | Prunus | Rosaceae |
|
| Shuteria involucrata var. vestita | Shuteria | Fabaceae | |
| Euphorbia kamerunica | Euphorbia | Euphorbiaceae |
|
| Balanophora harlandii | Balanophora | Balanophoraceae | |
| Eria foetida | Eria | Orchidaceae | |
| Persea kusanoi | Persea | Lauraceae | |
| Agave aurea | Agave | Asparagaceae | |
| Pyrus pyraster | Pyrus | Rosaceae |
|
| Bupleurum scorzonerifolium | Bupleurum | Apiaceae |
|
| Encephalartos altensteinii | Encephalartos | Zamiaceae |
|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Astragalus oxyphysus | Astragalus | Fabaceae | |
| Cupressus lawsoniana | Cupressus | Cupressaceae | |
| Crinum erubescens | Crinum | Amaryllidaceae | |
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Pentzia incana | Pentzia | Asteraceae | |
| Kobresia nepalensis | Kobresia | Cyperaceae |
|
| Pronephrium triphyllum | Pronephrium | Thelypteridaceae | |
| Polemonium caeruleum | Polemonium | Polemoniaceae |
|
| Hydrodictyon reticulatum | Hydrodictyon | Hydrodictyaceae |
|
| Santalum album | Santalum | Santalaceae |
|
| Excoecaria oppositifolia | Excoecaria | Euphorbiaceae |
|
| Grindelia acutifolia | Grindelia | Asteraceae | |
| Cephalotaxus fortunei | Cephalotaxus | Taxaceae |
|
| Senecio candollei | Senecio | Asteraceae | |
| Prangos pabularia | Prangos | Apiaceae |
|
| Polyscias scutellaria | Polyscias | Araliaceae |
|
| Centaurea glastifolia | Centaurea | Asteraceae | |
| Trifolium subterraneum | Trifolium | Fabaceae |
|
| Grindelia havardii | Grindelia | Asteraceae | |
| Nephelium maingayi | Nephelium | Sapindaceae |
|
| Euphorbia marginata | Euphorbia | Euphorbiaceae |
|
| Galanthus nivalis | Galanthus | Amaryllidaceae |
|
| Euphorbia armena | Euphorbia | Euphorbiaceae | |
| Emilia sonchifolia | Emilia | Asteraceae |
|
| Crataegus davisii | Crataegus | Rosaceae | |
| Gardenia collinsae | Gardenia | Rubiaceae | |
| Callistemon viminalis | Callistemon | Myrtaceae | |
| Pausinystalia mayumbensis | Pausinystalia | Rubiaceae | |
| Ajuga spectabilis | Ajuga | Lamiaceae | |
| Cissus pallidiflorus | Cissus | Vitaceae | |
| Ursinia abrotanifolia | Ursinia | Asteraceae | |
| Selliguea feei | Selliguea | Polypodiaceae | |
| Jungermannia hyalina | Jungermannia | Jungermanniaceae | |
| Melampodium heterophyllum | Melampodium | Asteraceae | |
| Simaba multiflora | Simaba | Simaroubaceae | |
| Baphia nitida | Baphia | Fabaceae |
|
| Litsea pulchella | Litsea | Lauraceae | |
| Astragalus tragacantha | Astragalus | Fabaceae | |
| Teucrium oxylepis | Teucrium | Lamiaceae | |
| Ligularia muliensis | Ligularia | Asteraceae | |
| Alstroemeria revoluta | Alstroemeria | Alstroemeriaceae |
|
| Marrubium alysson | Marrubium | Lamiaceae | |
| Achillea macrophylla | Achillea | Asteraceae | |
| Strychnos ledermannii | Strychnos | Loganiaceae | |
| Nuphar lutea | Nuphar | Nymphaeaceae |
|
| Eupatorium havanense | Eupatorium | Asteraceae | |
| Atractylodes macrocephala koidz | Atractylodes | Asteraceae | |
| Croton megistocarpus | Croton | Euphorbiaceae | |
| Euphorbia biglandulosa | Euphorbia | Euphorbiaceae | |
| Platymiscium floribundum | Platymiscium | Fabaceae | |
| Hedysarum multijugum maxim | Hedysarum | Fabaceae | |
| Mallotus philippensis | Mallotus | Euphorbiaceae |
|
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Caesalpinia crista | Guilandina | Fabaceae |
|
| Litsea aciculata | Litsea | Lauraceae | |
| Vigna radiata | Vigna | Fabaceae |
|
| Gymnosporia senegalensis | Gymnosporia | Celastraceae |
|
| Coleus frederici | Coleus | Lamiaceae | |
| Brassica juncea | Brassica | Brassicaceae |
|
| Libanotis intermedia | Libanotis | Apiaceae | |
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Lupinus cosentinii | Lupinus | Fabaceae | |
| Bupleurum falcatum | Bupleurum | Apiaceae |
|
| Stevia chamaedrys | Stevia | Asteraceae | |
| Lilium hansonii | Lilium | Liliaceae |
|
| Geranium sibiricum | Geranium | Geraniaceae |
|
| Isatis tinctoria | Isatis | Brassicaceae |
|
| Baphicacanthus cusia | Baphicacanthus | Acanthaceae |
|
| Lagerstroemia indica | Lagerstroemia | Lythraceae |
|
| Arum ternatum thunb | Arum | Araceae | |
| Viburnum davidii | Viburnum | Adoxaceae | |
| Agathosma scaberula | Agathosma | Rutaceae | |
| Senecio isatideus | Senecio | Asteraceae | |
| Sinapis alba | Sinapis | Brassicaceae |
|
| Trigonella foenum-graecum | Trigonella | Fabaceae |
|
| Trillium camschatcense | Trillium | Melanthiaceae | |
| Cuscuta reflexa | Cuscuta | Convolvulaceae |
|
| Plantago depressa | Plantago | Plantaginaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
| Cichorium intybus | Cichorium | Asteraceae |
|
Ingredient ID: NPC219143
Formula: C3H7NO3
Ingredient ID: NPC219143
| Common Name | Serine |
| IUPAC Name | (2S)-2-azaniumyl-3-hydroxypropanoate |
| Canonical SMILES | OC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 |
| Standard InCHIKey | MTCFGRXMJLQNBG-REOHCLBHSA-N |
| Ingredient External Links |
PubChem CID: 6857581;5951 ChEMBL ID: CHEMBL11298 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD21117] Database: NPASS [NPC219143] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cistanche deserticola | Cistanche | Orobanchaceae |
|
| Angelica gigas | Angelica | Apiaceae |
|
| Cornus officinalis | Cornus | Cornaceae |
|
| Ficus simplicissima | Ficus | Moraceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Santalum album | Santalum | Santalaceae |
|
| Pinellia ternata | Pinellia | Araceae |
|
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Brassica juncea | Brassica | Brassicaceae |
|
| Angelica acutiloba | Angelica | Apiaceae |
|
| Pogostemon cablin | Pogostemon | Lamiaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Arum ternatum thunb | Arum | Araceae | |
| Allium sativum | Allium | Amaryllidaceae |
|
| Sinapis alba | Sinapis | Brassicaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC208793
Formula: C4H7NO4
Ingredient ID: NPC208793
| Common Name | Aspartic Acid |
| IUPAC Name | (2S)-2-aminobutanedioic acid |
| Canonical SMILES | OC(=O)C[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
| Standard InCHIKey | CKLJMWTZIZZHCS-REOHCLBHSA-N |
| Ingredient External Links |
PubChem CID: 5960;44367445 ChEMBL ID: CHEMBL274323 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD110883] Database: NPASS [NPC208793] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aloe vera | Aloe | Xanthorrhoeaceae |
|
| Cornus officinalis | Cornus | Cornaceae |
|
| Aloe ferox | Aloe | Asphodelaceae |
|
| Bupleurum scorzonerifolium | Bupleurum | Apiaceae |
|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Santalum album | Santalum | Santalaceae |
|
| Atractylodes macrocephala koidz | Atractylodes | Asteraceae | |
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Vigna radiata | Vigna | Fabaceae |
|
| Aloe spicata | Aloe | Asphodelaceae |
|
| Brassica juncea | Brassica | Brassicaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Pogostemon cablin | Pogostemon | Lamiaceae |
|
| Aloe africana | Aloe | Xanthorrhoeaceae |
|
| Bupleurum falcatum | Bupleurum | Apiaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Chlamydomonas reinhardtii | Chlamydomonas | Chlamydomonadaceae | |
| Arum ternatum thunb | Arum | Araceae | |
| Tussilago farfara | Tussilago | Asteraceae |
|
| Acorus gramineus | Acorus | Acoraceae |
|
| Humulus scandens | Humulus | Cannabaceae |
|
| Allium sativum | Allium | Amaryllidaceae |
|
| Sinapis alba | Sinapis | Brassicaceae |
|
| Acorus tatarinowii | Acorus | Acoraceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC189646
Formula: C18H36O4
Ingredient ID: NPC189646
| Common Name | n.a. |
| IUPAC Name | (9R,10R)-9,10-dihydroxyoctadecanoic acid |
| Canonical SMILES | CCCCCCCC[C@H]([C@@H](CCCCCCCC(=O)O)O)O |
| Standard InCHI | InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m1/s1 |
| Standard InCHIKey | VACHUYIREGFMSP-IAGOWNOFSA-N |
| Ingredient External Links |
PubChem CID: 12235228 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD111606] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Tetradium ruticarpum | Tetradium | Rutaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC18188
Formula: C4H9NO2
Ingredient ID: NPC18188
| Common Name | Gamma-Aminobutyric Acid |
| IUPAC Name | 4-aminobutanoic acid |
| Canonical SMILES | NCCCC(=O)O |
| Standard InCHI | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) |
| Standard InCHIKey | BTCSSZJGUNDROE-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 119;6992099 ChEMBL ID: CHEMBL96 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD1731] Database: NPASS [NPC18188] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Phebalium ozothamnoides | Phebalium | Rutaceae | |
| Vitex megapotamica | Vitex | Lamiaceae |
|
| Angelica gigas | Angelica | Apiaceae |
|
| Aloe vera | Aloe | Xanthorrhoeaceae |
|
| Dysoxylum lenticellatum | Dysoxylum | Meliaceae | |
| Saururus cernuus | Saururus | Saururaceae |
|
| Strychnos fendleri | Strychnos | Loganiaceae | |
| Halimeda macroloba | Halimeda | Halimedaceae | |
| Solanum dulcamara | Solanum | Solanaceae |
|
| Cabucala madagascariensis | Cabucala | Apocynaceae | |
| Aloe ferox | Aloe | Asphodelaceae |
|
| Bupleurum scorzonerifolium | Bupleurum | Apiaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Derris reticulata | Derris | Fabaceae | |
| Morus bombycis | Morus | Moraceae |
|
| Gentiana arisanensis | Gentiana | Gentianaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Ballota lanata | Ballota | Lamiaceae | |
| Lycium chinense | Lycium | Solanaceae |
|
| Eucalyptus ovata | Eucalyptus | Myrtaceae | |
| Hesperocyparis macrocarpa | Hesperocyparis | Cupressaceae | |
| Pinellia ternata | Pinellia | Araceae |
|
| Buxus sempervirens | Buxus | Buxaceae |
|
| Aruncus dioicus | Aruncus | Rosaceae |
|
| Trichosanthes kirilowii | Trichosanthes | Cucurbitaceae |
|
| Angelica pubescens | Angelica | Apiaceae |
|
| Rhaponticum carthamoides | Rhaponticum | Asteraceae |
|
| Ageratum conyzoides | Ageratum | Asteraceae |
|
| Lycium barbarum | Lycium | Solanaceae |
|
| Hansenia weberbaueriana | Hansenia | Apiaceae | |
| Hedysarum multijugum maxim | Hedysarum | Fabaceae | |
| Kochia trichophylla | Kochia | Chenopodiaceae | |
| Saussurea costus | Saussurea | Asteraceae |
|
| Vicia villosa | Vicia | Fabaceae |
|
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Morus alba | Morus | Moraceae |
|
| Aloe spicata | Aloe | Asphodelaceae |
|
| Artemisia oranensis | Artemisia | Asteraceae | |
| Angelica acutiloba | Angelica | Apiaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Aloe africana | Aloe | Xanthorrhoeaceae |
|
| Isatis indigotica | Isatis | Brassicaceae |
|
| Bupleurum falcatum | Bupleurum | Apiaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Piper futokadsura | Piper | Piperaceae | |
| Isatis tinctoria | Isatis | Brassicaceae |
|
| Arum ternatum thunb | Arum | Araceae | |
| Acorus gramineus | Acorus | Acoraceae |
|
| Potentilla multifida | Potentilla | Rosaceae |
|
| Haplopappus venetus | Haplopappus | Asteraceae | |
| Centaurea amara | Centaurea | Asteraceae | |
| Rehmannia glutinosa | Rehmannia | Orobanchaceae |
|
| Citrullus lanatus subsp. vulgaris | Citrullus | Cucurbitaceae |
|
| Acorus tatarinowii | Acorus | Acoraceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC174246
Formula: C6H13NO2
Ingredient ID: NPC174246
| Common Name | n.a. |
| IUPAC Name | (2S,3S)-2-azaniumyl-3-methylpentanoate |
| Canonical SMILES | CC[C@@H]([C@@H](C(=O)O)N)C |
| Standard InCHI | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 |
| Standard InCHIKey | AGPKZVBTJJNPAG-WHFBIAKZSA-N |
| Ingredient External Links |
PubChem CID: 6306; 7043901 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD191053] Database: NPASS [NPC174246] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cistanche deserticola | Cistanche | Orobanchaceae |
|
| Cornus officinalis | Cornus | Cornaceae |
|
| Ficus simplicissima | Ficus | Moraceae |
|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Santalum album | Santalum | Santalaceae |
|
| Atractylodes macrocephala koidz | Atractylodes | Asteraceae | |
| Ageratum conyzoides | Ageratum | Asteraceae |
|
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Fagopyrum esculentum | Fagopyrum | Polygonaceae |
|
| Vigna radiata | Vigna | Fabaceae |
|
| Brassica juncea | Brassica | Brassicaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Chlamydomonas reinhardtii | Chlamydomonas | Chlamydomonadaceae | |
| Arum ternatum thunb | Arum | Araceae | |
| Tussilago farfara | Tussilago | Asteraceae |
|
| Allium sativum | Allium | Amaryllidaceae |
|
| Platycodon grandiforus | Platycodon | Campanulaceae | |
| Sinapis alba | Sinapis | Brassicaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC171195
Formula: C5H10
Ingredient ID: NPC171195
| Common Name | n.a. |
| IUPAC Name | 2-methylbut-2-ene |
| Canonical SMILES | CC=C(C)C |
| Standard InCHI | InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3 |
| Standard InCHIKey | BKOOMYPCSUNDGP-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 10553 ZINC ID: ZINC000001699503 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Solanum lycopersicum | Solanum | Solanaceae |
|
| Olea europaea | Olea | Oleaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC164487
Formula: C40H56O
Ingredient ID: NPC164487
| Common Name | n.a. |
| IUPAC Name | (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol |
| Canonical SMILES | O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C)/C)/C)C |
| Standard InCHI | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 |
| Standard InCHIKey | DMASLKHVQRHNES-FKKUPVFPSA-N |
| Ingredient External Links |
PubChem CID: 5281235 |
| Plant-Ingredient Association Reference |
Database: TCMID [23741] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Ipomoea digitata | Ipomoea | Convolvulaceae |
|
| Annona cornifolia | Annona | Annonaceae |
|
| Salvia syriaca | Salvia | Lamiaceae | |
| Solanum laxum | Solanum | Solanaceae |
|
| Ipomoea purpurea | Ipomoea | Convolvulaceae |
|
| Caltha palustris | Caltha | Ranunculaceae |
|
| Eucalyptus melliodora | Eucalyptus | Myrtaceae | |
| Scutellaria amoena | Scutellaria | Lamiaceae |
|
| Goniothalamus malayanus | Goniothalamus | Annonaceae | |
| Pastinaca sativa | Pastinaca | Apiaceae |
|
| Physalis alkekengi | Physalis | Solanaceae |
|
| Lysimachia mauritiana | Lysimachia | Primulaceae | |
| Swertia franchetiana | Swertia | Gentianaceae |
|
| Chromolaena odorata | Chromolaena | Asteraceae |
|
| Helipterum roseum | Helipterum | Asteraceae | |
| Hedysarum connatum | Hedysarum | Fabaceae | |
| Zanthoxylum tetraspermum | Zanthoxylum | Rutaceae |
|
| Artemisia assoana | Artemisia | Asteraceae | |
| Zea mays | Zea | Poaceae |
|
| Dumortiera hirsuta | Dumortiera | Dumortieraceae |
|
| Lepisorus ussuriensis | Lepisorus | Polypodiaceae |
|
| Capsicum annuum | Capsicum | Solanaceae |
|
| Alstonia spathulata | Alstonia | Apocynaceae | |
| Phoebe pittieri | Phoebe | Lauraceae | |
| Elsholtzia bodinieri | Elsholtzia | Lamiaceae |
|
| Hypericum laricifolium | Hypericum | Hypericaceae |
|
| Vitis vinifera | Vitis | Vitaceae |
|
| Adiantum lunulatum | Adiantum | Pteridaceae |
|
| Peltostigma guatemalense | Peltostigma | Rutaceae | |
| Acacia adunca | Acacia | Fabaceae | |
| Viguiera incana | Viguiera | Asteraceae | |
| Astragalus sempervirens | Astragalus | Fabaceae | |
| Marrubium anisodon | Marrubium | Lamiaceae |
|
| Lycium chinense | Lycium | Solanaceae |
|
| Ilex affinis | Ilex | Aquifoliaceae |
|
| Wikstroemia retusa | Wikstroemia | Thymelaeaceae | |
| Naucleopsis ternstroemiiflora | Naucleopsis | Moraceae | |
| Anaxagorea clavata | Anaxagorea | Annonaceae | |
| Stenostomum lucidum | Stenostomum | Rubiaceae | |
| Beyeria brevifolia | Beyeria | Euphorbiaceae | |
| Kaempferia pulchra | Kaempferia | Zingiberaceae |
|
| Drosera peltata | Drosera | Droseraceae |
|
| Lycium barbarum | Lycium | Solanaceae |
|
| Arnica nevadensis | Arnica | Asteraceae | |
| Odixia angusta | Odixia | Asteraceae | |
| Prunus laurocerasus | Prunus | Rosaceae |
|
| Ficus formosana | Ficus | Moraceae |
|
| 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 |
|
| Rumex maritimus | Rumex | Polygonaceae |
|
| 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 | |
| Chaenomeles sinensis | Chaenomeles | Rosaceae |
|
| Sesbania punicea | Sesbania | Fabaceae | |
| Lilium hansonii | Lilium | Liliaceae |
|
| Calostephane divaricata | Calostephane | Asteraceae | |
| Salvia miltiorrhiza | Salvia | Lamiaceae |
|
| Salvia officinalis | Salvia | Lamiaceae |
|
| Vaccinium oxycoccos | Vaccinium | Ericaceae |
|
| Securidaca inappendiculata | Securidaca | Polygalaceae |
|
| Caragana aurantiaca | Caragana | Fabaceae | |
| Pteris prolifera | Pteris | Pteridaceae | |
| Premna odorata | Premna | Lamiaceae |
|
| Cotyledon secunda | Cotyledon | Crassulaceae | |
| Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
|
| Gnetum latifolium | Gnetum | Gnetaceae |
|
Ingredient ID: NPC152451
Formula: C5H11NO2S
Ingredient ID: NPC152451
| Common Name | n.a. |
| IUPAC Name | (2S)-2-amino-4-methylsulfanylbutanoic acid |
| Canonical SMILES | CSCC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 |
| Standard InCHIKey | FFEARJCKVFRZRR-BYPYZUCNSA-N |
| Ingredient External Links |
PubChem CID: 6137; 6992087 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD4440] Database: NPASS [NPC152451] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cistanche deserticola | Cistanche | Orobanchaceae |
|
| Juncus effusus | Juncus | Juncaceae |
|
| Cornus officinalis | Cornus | Cornaceae |
|
| Ficus simplicissima | Ficus | Moraceae |
|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Codonopsis pilosula | Codonopsis | Campanulaceae |
|
| Santalum album | Santalum | Santalaceae |
|
| Pinellia ternata | Pinellia | Araceae |
|
| Ageratum conyzoides | Ageratum | Asteraceae |
|
| Lycium barbarum | Lycium | Solanaceae |
|
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Fagopyrum esculentum | Fagopyrum | Polygonaceae |
|
| Vigna radiata | Vigna | Fabaceae |
|
| Artemisia argyi | Artemisia | Asteraceae |
|
| Brassica juncea | Brassica | Brassicaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Allium sativum | Allium | Amaryllidaceae |
|
| Sinapis alba | Sinapis | Brassicaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC148951
Formula: C15H18O3
Ingredient ID: NPC148951
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C/C/1=CCCC2(C)O[C@@H]2C(=O)c2c(C1)occ2C |
| Standard InCHI | InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5+/t14-,15?/m1/s1 |
| Standard InCHIKey | CVIVANCKIBYAOP-RUQGURTESA-N |
| Ingredient External Links |
PubChem CID: 46173863 |
| Plant-Ingredient Association Reference |
Database: TCMID [22961] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hippophae rhamnoides | Hippophae | Elaeagnaceae |
|
| Zea mays | Zea | Poaceae |
|
| Capsicum annuum | Capsicum | Solanaceae |
|
| Lycium chinense | Lycium | Solanaceae |
|
| Curcuma phaeocaulis | Curcuma | Zingiberaceae | |
| Curcuma kwangsiensis | Curcuma | Zingiberaceae |
|
| Lycium barbarum | Lycium | Solanaceae |
|
| Citrus reticulata | Citrus | Rutaceae |
|
| Curcuma wenyujin | Curcuma | Zingiberaceae | |
| Lilium hansonii | Lilium | Liliaceae |
|
| Cycas revoluta | Cycas | Cycadaceae |
|
| Citrus aurantium | Citrus | Rutaceae |
|
| Curcuma zedoaria | Curcuma | Zingiberaceae |
|
| Crocus sativus | Crocus | Iridaceae |
|
Ingredient ID: NPC138498
Formula: C29H50O
Ingredient ID: NPC138498
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@H]2[C@]1(C)CC[C@@H](C2)O)C |
| Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22-,23+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | YSKVBPGQYRAUQO-UBCZCFGNSA-N |
| Ingredient External Links |
ZINC ID: ZINC000033902367 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Lilium hansonii | Lilium | Liliaceae |
|
| Codonopsis radix | Codonopsis | Campanulaceae | |
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC112890
Formula: C6H14N2O2
Ingredient ID: NPC112890
| Common Name | n.a. |
| IUPAC Name | (2S)-6-amino-2-azaniumylhexanoate |
| Canonical SMILES | NCCCC[C@@H](C(=O)O)N |
| Standard InCHI | InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 |
| Standard InCHIKey | KDXKERNSBIXSRK-YFKPBYRVSA-N |
| Ingredient External Links |
PubChem CID: 5962; 71774817; 122198194 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD39006] Database: NPASS [NPC112890] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus dulcis | Prunus | Rosaceae |
|
| Cistanche deserticola | Cistanche | Orobanchaceae |
|
| Pyrus pyraster | Pyrus | Rosaceae |
|
| Ficus simplicissima | Ficus | Moraceae |
|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Astragalus oxyphysus | Astragalus | Fabaceae | |
| Morus bombycis | Morus | Moraceae |
|
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Hydrodictyon reticulatum | Hydrodictyon | Hydrodictyaceae |
|
| Santalum album | Santalum | Santalaceae |
|
| Senecio candollei | Senecio | Asteraceae | |
| Polyscias scutellaria | Polyscias | Araliaceae |
|
| Centaurea glastifolia | Centaurea | Asteraceae | |
| Grindelia havardii | Grindelia | Asteraceae | |
| Nephelium maingayi | Nephelium | Sapindaceae |
|
| Galanthus nivalis | Galanthus | Amaryllidaceae |
|
| Euphorbia armena | Euphorbia | Euphorbiaceae | |
| Atractylodes macrocephala koidz | Atractylodes | Asteraceae | |
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Vigna radiata | Vigna | Fabaceae |
|
| Morus alba | Morus | Moraceae |
|
| Brassica juncea | Brassica | Brassicaceae |
|
| Aesculus chinensis | Aesculus | Sapindaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Chlamydomonas reinhardtii | Chlamydomonas | Chlamydomonadaceae | |
| Arum ternatum thunb | Arum | Araceae | |
| Allium sativum | Allium | Amaryllidaceae |
|
| Sinapis alba | Sinapis | Brassicaceae |
|
| Cuscuta reflexa | Cuscuta | Convolvulaceae |
|
| Plantago depressa | Plantago | Plantaginaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC106551
Formula: C9H11NO3
Ingredient ID: NPC106551
| Common Name | Tyrosine |
| IUPAC Name | (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid |
| Canonical SMILES | OC(=O)[C@H](Cc1ccc(cc1)O)N |
| Standard InCHI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 |
| Standard InCHIKey | OUYCCCASQSFEME-QMMMGPOBSA-N |
| Ingredient External Links |
PubChem CID: 6057;6942100 ChEMBL ID: CHEMBL925 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD50706] Database: NPASS [NPC106551] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cistanche deserticola | Cistanche | Orobanchaceae |
|
| Allium tuberosum | Allium | Amaryllidaceae |
|
| Selaginella tamariscina | Selaginella | Selaginellaceae |
|
| Ficus simplicissima | Ficus | Moraceae |
|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Vitis vinifera | Vitis | Vitaceae |
|
| Santalum album | Santalum | Santalaceae |
|
| Pinellia ternata | Pinellia | Araceae |
|
| Atractylodes macrocephala koidz | Atractylodes | Asteraceae | |
| Ageratum conyzoides | Ageratum | Asteraceae |
|
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Selaginella pulvinata | Selaginella | Selaginellaceae |
|
| Brassica juncea | Brassica | Brassicaceae |
|
| Lilium hansonii | Lilium | Liliaceae |
|
| Chlamydomonas reinhardtii | Chlamydomonas | Chlamydomonadaceae | |
| Arum ternatum thunb | Arum | Araceae | |
| Allium sativum | Allium | Amaryllidaceae |
|
| Sinapis alba | Sinapis | Brassicaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Ingredient ID: NPC104840
Formula: C18H34O3
Ingredient ID: NPC104840
| Common Name | n.a. |
| IUPAC Name | 8-[(2R,3S)-3-octyloxiran-2-yl]octanoic acid |
| Canonical SMILES | CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1 |
| Standard InCHIKey | IMYZYCNQZDBZBQ-DLBZAZTESA-N |
| Ingredient External Links |
PubChem CID: 12235227 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD151173] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Shorea uliginosa | Shorea | Dipterocarpaceae | |
| Sonchus microcarpus | Sonchus | Asteraceae | |
| Lilium hansonii | Lilium | Liliaceae |
|
| Strychnos diplotricha | Strychnos | Loganiaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC104840 | C18H34O3 | 8-[(2R,3S)-3-octyloxiran-2-yl]octanoic acid | 298.2507949 | -4.1526 | 3.11 | 6.4 | 3 | 1 | 49.83 | 15 | 1 | 21 | 2 |
| NPC106551 | C9H11NO3 | Tyrosine | 181.07 | -1.5447 | 2.01 | -1.577 | 3 | 3 | 83.55 | 6 | 1 | 13 | 0 |
| NPC112890 | C6H14N2O2 | 146.1055277 | -2.7491 | 1.68 | -2.949 | 4 | 3 | 89.34 | 8 | 0 | 10 | 0 | |
| NPC138498 | C29H50O | 414.3861662 | 1.3 | 4.54 | 11.785 | 1 | 1 | 20.23 | 6 | 4 | 30 | 1 | |
| NPC148951 | C15H18O3 | 246.1255944 | 1.8141 | 2.78 | 1.872 | 2 | 0 | 42.74 | 0 | 3 | 18 | 0 | |
| NPC152451 | C5H11NO2S | 149.0510496 | -0.7303 | 1.57 | -1.853 | 3 | 2 | 88.62 | 7 | 0 | 9 | 0 | |
| NPC164487 | C40H56O | (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol | 552.4331164 | 8.7123 | 5.75 | 12.649 | 1 | 1 | 20.23 | 10 | 2 | 41 | 1 |
| NPC171195 | C5H10 | 2-methylbut-2-ene | 70.07825032 | 1.9957 | 2.01 | 2.372 | 0 | 0 | 0 | 0 | 0 | 5 | 0 |
| NPC174246 | C6H13NO2 | 131.0946287 | -1.2501 | 1.79 | -1.6 | 3 | 2 | 63.32 | 7 | 0 | 9 | 0 | |
| NPC18188 | C4H9NO2 | Gamma-Aminobutyric Acid | 103.06 | -1.2313 | 1.57 | -0.668 | 3 | 2 | 63.32 | 5 | 0 | 7 | 0 |
| NPC189646 | C18H36O4 | (9R,10R)-9,10-dihydroxyoctadecanoic acid | 316.2613596 | -4.9191 | 3 | 5.382 | 4 | 3 | 77.76 | 16 | 0 | 22 | 2 |
| NPC208793 | C4H7NO4 | Aspartic Acid | 133.04 | -1.3518 | 1.35 | -3.707 | 5 | 3 | 100.62 | 6 | 0 | 9 | 0 |
| NPC219143 | C3H7NO3 | Serine | 105.04 | -1.5955 | 1.35 | -3.956 | 4 | 3 | 83.55 | 5 | 0 | 7 | 0 |
| NPC226453 | C6H14N4O2 | Arginine | 174.11 | -2.1807 | 1.46 | -2.924 | 6 | 5 | 125.22 | 9 | 0 | 12 | 0 |
| NPC237812 | C6H9N3O2 | Histidine | 155.07 | -1.3116 | 1.57 | -3.134 | 5 | 3 | 92 | 5 | 1 | 11 | 0 |
| NPC245027 | C6H13NO2 | 131.0946287 | -0.3183 | 1.79 | -1.389 | 3 | 2 | 63.32 | 7 | 0 | 9 | 0 | |
| NPC265829 | C3H7NO5S | (2R)-2-amino-3-sulfopropanoic acid | 169.0044933 | -1.6767 | 1.02 | -4.359 | 6 | 3 | 126.07 | 3 | 0 | 10 | 0 |
| NPC270805 | C4H9NO3 | 119.0582431 | -1.6062 | 1.46 | -3.496 | 4 | 3 | 83.55 | 6 | 0 | 8 | 0 | |
| NPC313059 | C34H46O2 | (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]hexadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | 486.3497807 | 6.2362 | 4.98 | 8.302 | 2 | 2 | 40.46 | 9 | 2 | 36 | 1 |
| NPC60942 | C40H56O2 | 1,5,5-trimethyl-6-[(1E,3Z,5Z,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol | 568.428031 | 7.9025 | 5.64 | 11.849 | 2 | 1 | 32.76 | 10 | 3 | 42 | 1 |
| NPC84666 | C5H7NO2 | (2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one | 113.0476785 | -0.0506 | 1.68 | -0.331 | 3 | 2 | 52.82 | 0 | 1 | 8 | 0 |
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