19 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: NPC96192
Formula: C27H36O5
Ingredient ID: NPC96192
| Common Name | n.a. |
| IUPAC Name | 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-propylchromen-2-one |
| Canonical SMILES | CCCc1cc(=O)oc2c1c(O)c(C/C=C(/CCC=C(C)C)C)c(c2C(=O)C(CC)C)O |
| Standard InCHI | InChI=1S/C27H36O5/c1-7-10-19-15-21(28)32-27-22(19)25(30)20(14-13-17(5)12-9-11-16(3)4)26(31)23(27)24(29)18(6)8-2/h11,13,15,18,30-31H,7-10,12,14H2,1-6H3/b17-13+ |
| Standard InCHIKey | HTVCZGDEKPMUHH-GHRIWEEISA-N |
| Ingredient External Links |
PubChem CID: 5321563 |
| Plant-Ingredient Association Reference |
Database: TCMID [20473] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
  |
| Eupatorium cannabinum | Eupatorium | Asteraceae |
|
Ingredient ID: NPC93177
Formula: C17H27NO6
Ingredient ID: NPC93177
| Common Name | n.a. |
| IUPAC Name | [(7S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(1-acetyloxyethyl)-2-hydroxy-3-methylbutanoate |
| Canonical SMILES | CC(=O)OC(C(C(=O)OCC1=CCN2C1[C@@H](O)CC2)(C(C)C)O)C |
| Standard InCHI | InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)24-12(4)19)16(21)23-9-13-5-7-18-8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11?,14-,15?,17?/m0/s1 |
| Standard InCHIKey | YFQPDKABPCMKCA-VIPIRMQFSA-N |
| Ingredient External Links |
PubChem CID: 5315902 |
| Plant-Ingredient Association Reference |
Database: TCMID [437] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
Ingredient ID: NPC85689
Formula: C10H14N5O7P
Ingredient ID: NPC85689
| Common Name | Adenosine-3'-Monophosphate |
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N |
| Standard InCHI | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 |
| Standard InCHIKey | LNQVTSROQXJCDD-KQYNXXCUSA-N |
| Ingredient External Links |
PubChem CID: 41211 ChEMBL ID: CHEMBL576739 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD178646] Database: NPASS [NPC85689] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
Ingredient ID: NPC84379
Formula: C15H25NO4
Ingredient ID: NPC84379
| Common Name | n.a. |
| IUPAC Name | [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate |
| Canonical SMILES | CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)(C(O)C)O)C |
| Standard InCHI | InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11?,13-,15-/m0/s1 |
| Standard InCHIKey | DRVWTOSBCBKXOR-MONRWBKMSA-N |
| Ingredient External Links |
PubChem CID: 6326108 |
| Plant-Ingredient Association Reference |
Database: TCMID [20472] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Derris malaccensis | Derris | Fabaceae |
|
| Eupatorium cannabinum | Eupatorium | Asteraceae |
|
Ingredient ID: NPC64168
Formula: C16H27NO5
Ingredient ID: NPC64168
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CO[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)O)C |
| Standard InCHI | InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1 |
| Standard InCHIKey | LMFKRLGHEKVMNT-UJDVCPFMSA-N |
| Ingredient External Links |
ZINC ID: ZINC000000488161 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC64168] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
Ingredient ID: NPC6166
Formula: C9H14N3O8P
Ingredient ID: NPC6166
| Common Name | [(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate |
| IUPAC Name | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1ccc(=N)nc1O |
| Standard InCHI | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
| Standard InCHIKey | UOOOPKANIPLQPU-XVFCMESISA-N |
| Ingredient External Links |
PubChem CID: 66535 ChEMBL ID: CHEMBL258728 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD118430] Database: NPASS [NPC6166] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
Ingredient ID: NPC54179
Formula: C20H12O6
Ingredient ID: NPC54179
| Common Name | Helioxanthin |
| IUPAC Name | 10-(1,3-benzodioxol-5-yl)-9H-[2]benzofuro[6,5-g][1,3]benzodioxol-7-one |
| Canonical SMILES | O=C1OCc2c1cc1ccc3c(c1c2c1ccc2c(c1)OCO2)OCO3 |
| Standard InCHI | InChI=1S/C20H12O6/c21-20-12-5-10-2-4-15-19(26-9-24-15)18(10)17(13(12)7-22-20)11-1-3-14-16(6-11)25-8-23-14/h1-6H,7-9H2 |
| Standard InCHIKey | JUBRYHUFFFYTGR-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 177023 ZINC ID: ZINC000006093906 ChEMBL ID: CHEMBL436474 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC54179] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Taiwania cryptomerioides | Taiwania | Cupressaceae | |
| Hypoestes purpurea | Hypoestes | Acanthaceae |
|
| Heliotropium olgae | Heliotropium | Heliotropiaceae | |
| Eleutherococcus gracilistylus | Eleutherococcus | Araliaceae |
Ingredient ID: NPC53109
Formula: C19H30O4
Ingredient ID: NPC53109
| Common Name | Rapanone |
| IUPAC Name | 2,5-dihydroxy-3-tridecylcyclohexa-2,5-diene-1,4-dione |
| Canonical SMILES | CCCCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)O |
| Standard InCHI | InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3 |
| Standard InCHIKey | AMKNOBHCKRZHIO-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 100659 ZINC ID: ZINC000038143715 ChEMBL ID: CHEMBL462801 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC53109] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Embelia ribes | Embelia | Primulaceae |
|
| Aegiceras corniculatum | Aegiceras | Primulaceae |
|
| Ardisia crenata | Ardisia | Primulaceae |
 |
Ingredient ID: NPC284644
Formula: C15H25NO6
Ingredient ID: NPC284644
| Common Name | n.a. |
| IUPAC Name | [(7S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate |
| Canonical SMILES | O[C@H]1CCN2(=O)C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O |
| Standard InCHI | InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10?,12-,13?,15?,16?/m0/s1 |
| Standard InCHIKey | DNAWGBOKUFFVMB-ZOJNAIIQSA-N |
| Ingredient External Links |
PubChem CID: 10018581 |
| Plant-Ingredient Association Reference |
Database: TCMID [31308] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Heliotropium amplexicaule | Heliotropium | Heliotropiaceae |
|
Ingredient ID: NPC280946
Formula: C9H14N3O8P
Ingredient ID: NPC280946
| Common Name | [(2R,3R,4R,5R)-2-(4-Amino-2-Oxopyrimidin-1-Yl)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate |
| IUPAC Name | [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate |
| Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1ccc(=N)nc1O |
| Standard InCHI | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
| Standard InCHIKey | YQUAKORMLHPSLZ-XVFCMESISA-N |
| Ingredient External Links |
PubChem CID: 101544 ChEMBL ID: CHEMBL582887 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD162970] Database: NPASS [NPC280946] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
Ingredient ID: NPC220736
Formula: C16H10N2O2
Ingredient ID: NPC220736
| Common Name | n.a. |
| IUPAC Name | (2Z)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one |
| Canonical SMILES | O=C1c2ccccc2N/C/1=C/1Nc2c(C1=O)cccc2 |
| Standard InCHI | InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13- |
| Standard InCHIKey | COHYTHOBJLSHDF-YPKPFQOOSA-N |
| Ingredient External Links |
PubChem CID: 5354391 ZINC ID: ZINC000100513617 |
| Plant-Ingredient Association Reference |
Database: TCMID [11021] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Isatis tinctoria | Isatis | Brassicaceae |
|
| Persicaria tinctoria | Persicaria | Polygonaceae |
|
Ingredient ID: NPC191407
Formula: C40H54O
Ingredient ID: NPC191407
| Common Name | n.a. |
| IUPAC Name | 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one |
| Canonical SMILES | C/C(=CC=CC=C(C=CC=C(C=CC1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=CC1=C(C)CCCC1(C)C)C |
| Standard InCHI | InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23-,26-24+,30-16+,31-17+,32-20+,33-21+ |
| Standard InCHIKey | QXNWZXMBUKUYMD-BBGROUNOSA-N |
| Ingredient External Links |
PubChem CID: 6436871 |
| Plant-Ingredient Association Reference |
Database: TCMID [6687] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Cynoglossum amabile | Cynoglossum | Boraginaceae |
|
Ingredient ID: NPC173690
Formula: C15H25NO5
Ingredient ID: NPC173690
| Common Name | n.a. |
| IUPAC Name | [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate |
| Canonical SMILES | O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O |
| Standard InCHI | InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10?,12-,13-,15?/m1/s1 |
| Standard InCHIKey | SFVVQRJOGUKCEG-MZWNRHJESA-N |
| Ingredient External Links |
PubChem CID: 44285612 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC173690] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Mirabilis jalapa | Mirabilis | Nyctaginaceae |
|
| Heliotropium amplexicaule | Heliotropium | Heliotropiaceae |
|
Ingredient ID: NPC165967
Formula: C24H48O2
Ingredient ID: NPC165967
| Common Name | n.a. |
| IUPAC Name | tetracosanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)O |
| Standard InCHI | InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26) |
| Standard InCHIKey | QZZGJDVWLFXDLK-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 11197 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD123711] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Psammosilene tunicoides | Psammosilene | Caryophyllaceae | |
| Allium tuberosum | Allium | Amaryllidaceae |
|
| Garcinia cambogia | Garcinia | Clusiaceae |
|
| Aloe vera | Aloe | Xanthorrhoeaceae |
 |
| Lithospermum erythrorhizon | Lithospermum | Boraginaceae |
|
| Petasites laevigatus | Petasites | Asteraceae |
|
| Amsinckia menziesii | Amsinckia | Boraginaceae | |
| Sphaeranthus confertifolius | Sphaeranthus | Asteraceae | |
| Flemingia prostrata roxb | Flemingia | Fabaceae | |
| Sideritis hirsuta | Sideritis | Lamiaceae | |
| Ornithoglossum viride | Ornithoglossum | Colchicaceae | |
| Ulva lactuca | Ulva | Ulvaceae |
|
| Schizanthus tricolor | Schizanthus | Solanaceae | |
| Anodendron affine | Anodendron | Apocynaceae |
|
| Taraxacum platycarpum | Taraxacum | Asteraceae |
|
| Hertia cheirifolia | Hertia | Asteraceae | |
| Acrostichum aureum | Acrostichum | Pteridaceae |
|
| Gnaphalium oligandrum | Gnaphalium | Asteraceae | |
| Cedrela salvadorensis | Cedrela | Meliaceae | |
| Melaleuca uncinata | Melaleuca | Myrtaceae | |
| Ixeris denticulata | Ixeris | Asteraceae |
|
| Hakea saligna | Hakea | Proteaceae | |
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Aloe ferox | Aloe | Asphodelaceae |
|
| Angelica decursiva | Angelica | Apiaceae |
|
| Taraxacum borealisinense | Taraxacum | Asteraceae | |
| Clusia multiflora | Clusia | Clusiaceae | |
| Trichosanthes kirilowii maxim | Trichosanthes | Cucurbitaceae | |
| Dalbergia nitidula | Dalbergia | Fabaceae |
|
| Avrainvillea nigricans | Avrainvillea | Udoteaceae | |
| Curcuma phaeocaulis | Curcuma | Zingiberaceae | |
| Rhododendron ferrugineum | Rhododendron | Ericaceae |
|
| Drypetes roxburghii | Drypetes | Putranjivaceae |
|
| Aconitum contortum | Aconitum | Ranunculaceae | |
| Melia azedarach | Melia | Meliaceae |
|
| Buddleja variabilis | Buddleja | Scrophulariaceae | |
| Sophora flavescens | Sophora | Fabaceae |
|
| Senecio scandens | Senecio | Asteraceae |
|
| Uvaria lucida | Uvaria | Annonaceae |
|
| Vallaris solanacea | Vallaris | Apocynaceae |
|
| Mentha pulegiformis | Mentha | Lamiaceae | |
| Salvia nubicola | Salvia | Lamiaceae |
|
| Grindelia nana | Grindelia | Asteraceae | |
| Haloxylon salicornicum | Haloxylon | Chenopodiaceae |
|
| Neolitsea villosa | Neolitsea | Lauraceae | |
| Leucanthemum maximum | Leucanthemum | Asteraceae | |
| Punica granatum | Punica | Lythraceae |
|
| Vitex trifolia | Vitex | Lamiaceae |
|
| Calea megacephala | Calea | Asteraceae | |
| Abies nobilis | Abies | Pinaceae | |
| Jagera pseudorhus | Jagera | Sapindaceae | |
| Persea indica | Persea | Lauraceae |
|
| Corydalis cornuta | Corydalis | Papaveraceae | |
| Solanum nigrum | Solanum | Solanaceae |
|
| Disepalum plagioneurum | Disepalum | Annonaceae | |
| Piper aequale | Piper | Piperaceae |
|
| Alkanna hirsutissima | Alkanna | Boraginaceae | |
| Pinus picea | Pinus | Pinaceae | |
| Saussurea salicifolia | Saussurea | Asteraceae | |
| Picris radicata | Picris | Asteraceae | |
| Acrocomia sclerocarpa | Acrocomia | Arecaceae | |
| Alpinia oxyphylla | Alpinia | Zingiberaceae |
|
| Curcuma kwangsiensis | Curcuma | Zingiberaceae |
|
| Eremophila serrulata | Eremophila | Scrophulariaceae | |
| Rodgersia podophylla | Rodgersia | Saxifragaceae |
|
| Actinidia chinensis planch | Actinidia | Actinidiaceae | |
| Delphinium campylocentrum | Delphinium | Ranunculaceae | |
| Cordyline indivisa | Cordyline | Asparagaceae |
|
| Primula hirsuta | Primula | Primulaceae | |
| Callistemon coccineus | Callistemon | Myrtaceae | |
| Jasminum grandiflorum | Jasminum | Oleaceae |
|
| Viscum coloratum | Viscum | Viscaceae |
|
| Justicia betonica | Justicia | Acanthaceae |
|
| Taraxacum coreanum | Taraxacum | Asteraceae | |
| Linum catharticum | Linum | Linaceae | |
| Hypericum reptans | Hypericum | Hypericaceae | |
| Uncaria africana | Uncaria | Rubiaceae |
|
| Strychnos amazonica | Strychnos | Loganiaceae |
|
| Alpinia zerumbet | Alpinia | Zingiberaceae |
|
| Escontria chiotilla | Escontria | Cactaceae |
|
| Rubus laciniatus | Rubus | Rosaceae |
|
| Myristica gigantea | Myristica | Myristicaceae | |
| Hansenia weberbaueriana | Hansenia | Apiaceae | |
| Eucryphia cordifolia | Eucryphia | Cunoniaceae | |
| Buxus hildebrandtii | Buxus | Buxaceae | |
| Curcuma longa | Curcuma | Zingiberaceae |
|
| Drypetes tessmanniana | Drypetes | Putranjivaceae | |
| Pteryxia terebinthina | Pteryxia | Apiaceae | |
| Primula integrifolia | Primula | Primulaceae | |
| Nothofagus pumilio | Nothofagus | Nothofagaceae |
|
| Gratiola officinalis | Gratiola | Plantaginaceae |
|
| Rhizophora tagal | Rhizophora | Rhizophoraceae | |
| Salvia lavandulifolia | Salvia | Lamiaceae |
|
| Echinacea simulata | Echinacea | Asteraceae | |
| Cotinus coggygria | Cotinus | Anacardiaceae |
|
| Grindelia discoidea | Grindelia | Asteraceae | |
| Hansenia forbesii | Hansenia | Apiaceae | |
| Eremurus chinensis | Eremurus | Asphodelaceae | |
| Pachygone dasycarpa | Pachygone | Menispermaceae | |
| Croton geayi | Croton | Euphorbiaceae | |
| Callicarpa acuminata | Callicarpa | Lamiaceae |
|
| Ageratum mexicanum | Ageratum | Asteraceae | |
| Petunia nyctaginiflora | Petunia | Solanaceae |
|
| Arnica parryi | Arnica | Asteraceae | |
| Kalanchoe spathulata | Kalanchoe | Crassulaceae |
|
| Senegalia pennata | Senegalia | Fabaceae |
|
| Curcuma wenyujin | Curcuma | Zingiberaceae | |
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Taraxacum officinale | Taraxacum | Asteraceae |
|
| Terminalia chebula | Terminalia | Combretaceae |
|
| Taraxacum mongolicum | Taraxacum | Asteraceae |
|
| Echinochloa crus-galli | Echinochloa | Poaceae |
|
| Wulfenia orientalis | Wulfenia | Plantaginaceae | |
| Cynomorium songaricum | Cynomorium | Cynomoriaceae |
|
| Kniphofia foliosa | Kniphofia | Asphodelaceae |
|
| Solanum nigrum linn | Solanum | Solanaceae | |
| Viguiera pinnatilobata | Viguiera | Asteraceae | |
| Aloe spicata | Aloe | Asphodelaceae |
|
| Radermachera xylocarpa | Radermachera | Bignoniaceae |
|
| Alstonia spectabilis | Alstonia | Apocynaceae |
|
| Ostericum grosseserratum | Ostericum | Apiaceae |
|
| Aloe africana | Aloe | Xanthorrhoeaceae |
|
| Dolichos lablab | Dolichos | Fabaceae | |
| Nelumbo nucifera | Nelumbo | Nelumbonaceae |
|
| Peucedanum praeruptorum | Peucedanum | Apiaceae |
|
| Trichosanthes rosthornii | Trichosanthes | Cucurbitaceae |
|
| Rubia tetragona | Rubia | Rubiaceae | |
| Phegopteris bukoensis | Phegopteris | Thelypteridaceae | |
| Davallia orientalis | Davallia | Davalliaceae | |
| Anthocleista procera | Anthocleista | Gentianaceae | |
| Raphanus sativus | Raphanus | Brassicaceae |
|
| Ormosia hosiei | Ormosia | Fabaceae |
|
| Scapania nemorea | Scapania | Scapaniaceae | |
| Curcuma zedoaria | Curcuma | Zingiberaceae |
|
| Licaria chrysophylla | Licaria | Lauraceae |
Ingredient ID: NPC160359
Formula: C15H25NO5
Ingredient ID: NPC160359
| Common Name | n.a. |
| IUPAC Name | [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate |
| Canonical SMILES | O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O |
| Standard InCHI | InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13+,15-/m0/s1 |
| Standard InCHIKey | SFVVQRJOGUKCEG-DNVSUFBTSA-N |
| Ingredient External Links |
PubChem CID: 12310804 |
| Plant-Ingredient Association Reference |
Database: TCMID [6685] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cistanche deserticola | Cistanche | Orobanchaceae |
|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Digitalis purpurea | Digitalis | Plantaginaceae |
|
| Cynoglossum amabile | Cynoglossum | Boraginaceae |
|
| Cistanche salsa | Cistanche | Orobanchaceae |
|
| Rehmannia glutinosa | Rehmannia | Orobanchaceae |
|
Ingredient ID: NPC139004
Formula: C16H27NO5
Ingredient ID: NPC139004
| Common Name | n.a. |
| IUPAC Name | [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate |
| Canonical SMILES | COC(C(C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)O)C |
| Standard InCHI | InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11?,13-,14+,16?/m0/s1 |
| Standard InCHIKey | LMFKRLGHEKVMNT-SLTLEMIRSA-N |
| Ingredient External Links |
PubChem CID: 6420067 |
| Plant-Ingredient Association Reference |
Database: TCMID [9319] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
| Heliotropium eichwaldii | Heliotropium | Heliotropiaceae |
|
| Heliotropium olgae | Heliotropium | Heliotropiaceae |
Ingredient ID: NPC137396
Formula: C8H8O4
Ingredient ID: NPC137396
| Common Name | 3-Ethyl-2,5-Dihydroxycyclohexa-2,5-Diene-1,4-Dione |
| IUPAC Name | 3-ethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione |
| Canonical SMILES | CCC1=C(O)C(=O)C=C(C1=O)O |
| Standard InCHI | InChI=1S/C8H8O4/c1-2-4-7(11)5(9)3-6(10)8(4)12/h3,9,12H,2H2,1H3 |
| Standard InCHIKey | WJSQCAWGGRFZJK-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 821411 ChEMBL ID: CHEMBL222173 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC137396] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Heliotropium indicum | Heliotropium | Heliotropiaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC137396 | C8H8O4 | 3-Ethyl-2,5-Dihydroxycyclohexa-2,5-Diene-1,4-Dione | 168.04 | -0.7136 | 1.9 | 1.113 | 4 | 2 | 74.6 | 4 | 1 | 12 | 0 |
| NPC139004 | C16H27NO5 | [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate | 313.188923 | -0.8432 | 2.56 | -0.313 | 6 | 2 | 79.23 | 7 | 2 | 22 | 0 |
| NPC160359 | C15H25NO5 | [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate | 299.1732729 | -1.2517 | 2.45 | -0.832 | 6 | 3 | 90.23 | 6 | 2 | 21 | 0 |
| NPC165967 | C24H48O2 | tetracosanoic acid | 368.3654308 | -6.2017 | 3.88 | 12.122 | 2 | 1 | 37.3 | 22 | 0 | 26 | 2 |
| NPC173690 | C15H25NO5 | 299.1732729 | -1.2517 | 2.45 | -0.832 | 6 | 3 | 90.23 | 12 | 2 | 21 | 0 | |
| NPC191407 | C40H54O | 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one | 550.4174663 | 8.9316 | 5.75 | 12.761 | 1 | 0 | 17.07 | 10 | 2 | 41 | 1 |
| NPC220736 | C16H10N2O2 | (2Z)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one | 262.0742276 | -1.7942 | 2.78 | 4.628 | 4 | 2 | 58.2 | 0 | 4 | 20 | 0 |
| NPC280946 | C9H14N3O8P | [(2R,3R,4R,5R)-2-(4-Amino-2-Oxopyrimidin-1-Yl)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate | 323.05 | -2.3241 | 1.13 | -2.264 | 11 | 6 | 185.94 | 9 | 2 | 21 | 2 |
| NPC284644 | C15H25NO6 | [(7S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate | 315.1681875 | 2.34 | 5 | 3 | 104.06 | 6 | 2 | 22 | 0 | ||
| NPC53109 | C19H30O4 | Rapanone | 322.21 | -4.0748 | 3.11 | 7.372 | 4 | 2 | 74.6 | 15 | 1 | 23 | 2 |
| NPC54179 | C20H12O6 | Helioxanthin | 348.06 | -0.6849 | 3 | 2.907 | 2 | 0 | 63.22 | 1 | 6 | 26 | 0 |
| NPC6166 | C9H14N3O8P | [(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate | 323.05 | -2.3241 | 1.13 | -2.693 | 11 | 6 | 185.94 | 9 | 2 | 21 | 2 |
| NPC64168 | C16H27NO5 | 313.19 | -0.8432 | 2.56 | -0.313 | 6 | 2 | 79.23 | 13 | 2 | 22 | 0 | |
| NPC84379 | C15H25NO4 | [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate | 283.1783583 | -1.029 | 2.56 | 0.198 | 5 | 2 | 70 | 6 | 2 | 20 | 0 |
| NPC85689 | C10H14N5O7P | Adenosine-3'-Monophosphate | 347.06 | -2.2149 | 1.13 | -3.896 | 12 | 5 | 195.88 | 9 | 3 | 23 | 1 |
| NPC93177 | C17H27NO6 | 341.1838376 | -0.8726 | 2.56 | -0.092 | 7 | 2 | 96.3 | 8 | 2 | 24 | 0 | |
| NPC96192 | C27H36O5 | 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-propylchromen-2-one | 440.2562743 | 1.8834 | 3.88 | 6.002 | 2 | 2 | 83.83 | 10 | 2 | 32 | 1 |
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