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.
9 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC96663
Formula: C22H42O2
Ingredient ID: NPC96663
| Common Name | n.a. |
| IUPAC Name | [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate |
| Canonical SMILES | C[C@@H](CCC/C(=C/COC(=O)C)/C)CCC[C@@H](CCCC(C)C)C |
| Standard InCHI | InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m1/s1 |
| Standard InCHIKey | JIGCTXHIECXYRJ-ILWBRPEASA-N |
| Ingredient External Links |
PubChem CID: 637195 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC96663] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
 |
Ingredient ID: NPC61473
Formula: C29H50O3
Ingredient ID: NPC61473
| Common Name | Alpha-Tocoquinone |
| IUPAC Name | 2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione |
| Canonical SMILES | C[C@H](CCC[C@@H](CCCC(C)C)C)CCC[C@](CCC1=C(C)C(=O)C(=C(C1=O)C)C)(O)C |
| Standard InCHI | InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1 |
| Standard InCHIKey | LTVDFSLWFKLJDQ-IEOSBIPESA-N |
| Ingredient External Links |
PubChem CID: 2734086 ChEMBL ID: CHEMBL1223852 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC61473] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Andira retusa | Andira | Fabaceae | |
| Himalaiella deltoidea | Himalaiella | Asteraceae | |
| Baeckea frutescens | Baeckea | Myrtaceae |
 |
| Marrubium parviflorum | Marrubium | Lamiaceae | |
| Dyssodia anthemidifolia | Dyssodia | Asteraceae | |
| Psathyrotes ramosissima | Psathyrotes | Asteraceae | |
| Lychnophora pinaster | Lychnophora | Asteraceae | |
| Chenopodium quinoa | Chenopodium | Chenopodiaceae |
|
| Lespedeza maximowiczi | Lespedeza | Fabaceae | |
| Coprosma foetidissima | Coprosma | Rubiaceae |
|
| Cassia artemisioides | Cassia | Fabaceae | |
| Microglossa pyrifolia | Microglossa | Asteraceae |
|
| Parthenium confertum | Parthenium | Asteraceae | |
| Harpullia cupanioides | Harpullia | Sapindaceae | |
| Trifolium diffusum | Trifolium | Fabaceae | |
| Youngia japonica | Youngia | Asteraceae |
|
| Dalbergia ecastaphyllum | Dalbergia | Fabaceae |
|
| Eriocephalus kingesii | Eriocephalus | Asteraceae | |
| Amomum sulcatum | Amomum | Zingiberaceae | |
| Balanophora polyandra | Balanophora | Balanophoraceae |
|
| Lilium rubrum | Lilium | Liliaceae | |
| Lobelia syphilitica | Lobelia | Campanulaceae | |
| Cryptocarya chinensis | Cryptocarya | Lauraceae |
|
| Citrus medica | Citrus | Rutaceae |
|
| Zea mays | Zea | Poaceae |
 |
| Panicum crus-galli | Panicum | Poaceae |
|
| Scleropyrum wallichianum | Scleropyrum | Cervantesiaceae |
|
| Phlojodicarpus sibiricus | Phlojodicarpus | Apiaceae |
|
| Pithecellobium racemosum | Pithecellobium | Fabaceae | |
| Bulbinella floribunda | Bulbinella | Asphodelaceae | |
| Isodon eriocalyx | Isodon | Lamiaceae | |
| Veronica stricta | Veronica | Plantaginaceae | |
| Myoporum platycarpum | Myoporum | Scrophulariaceae |
|
| Zanthoxylum ocumarense | Zanthoxylum | Rutaceae | |
| Blumea eriantha | Blumea | Asteraceae |
|
| Cipadessa fruticosa | Cipadessa | Meliaceae | |
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
| Palaquium canaliculatum | Palaquium | Sapotaceae | |
| Physalis sordida | Physalis | Solanaceae | |
| Taxus drupacea | Taxus | Taxaceae | |
| Ilex brevicuspis | Ilex | Aquifoliaceae |
|
| Acrisione denticulata | Acrisione | Asteraceae | |
| Senecio heliopsis | Senecio | Asteraceae | |
| Berberis orthobotrys | Berberis | Berberidaceae |
|
| Codium dwarkense | Codium | Codiaceae | |
| Achillea biebersteinii | Achillea | Asteraceae |
|
| Euphorbia formosana | Euphorbia | Euphorbiaceae | |
| Diplazium esculentum | Diplazium | Athyriaceae |
|
| Ongokea gore | Ongokea | Aptandraceae |
|
| Sanicula epipactis | Sanicula | Apiaceae | |
| Euonymus laxiflorus | Euonymus | Celastraceae | |
| Sarcophyton latum | Sarcophyton | Orchidaceae | |
| Cucurbita moschata | Cucurbita | Cucurbitaceae |
|
| Scopolia atropoides | Scopolia | Solanaceae | |
| Caryocar villosum | Caryocar | Caryocaraceae |
|
| Ocimum gratissimum | Ocimum | Lamiaceae |
|
| Glochidion philippicum | Glochidion | Phyllanthaceae | |
| Ceriops decandra | Ceriops | Rhizophoraceae |
|
| Solidago petiolaris | Solidago | Asteraceae | |
| Zaluzania grayana | Zaluzania | Asteraceae | |
| Zanthoxylum acutifolium | Zanthoxylum | Rutaceae |
|
| Archidendron ellipticum | Archidendron | Fabaceae | |
| Tabernaemontana divaricata | Tabernaemontana | Apocynaceae |
|
| Phymatopteris hastata | Phymatopteris | Polypodiaceae | |
| Baccharis dracunculifolia | Baccharis | Asteraceae |
|
| tripolium vulgare | Tripolium | Asteraceae | |
| Hedysarum sachalinense | Hedysarum | Fabaceae |
|
| Quercus laurifolia | Quercus | Fagaceae | |
| Geranium collinum | Geranium | Geraniaceae | |
| Salvia divaricata | Salvia | Lamiaceae | |
| Polygonatum polyanthemum | Polygonatum | Asparagaceae | |
| Micromelum integerrimum | Micromelum | Rutaceae |
|
| Schlumbergera truncata | Schlumbergera | Cactaceae | |
| Etlingera elatior | Elettaria | Zingiberaceae |
|
| Veronica intercedens | Veronica | Plantaginaceae | |
| Chenopodiastrum murale | Chenopodiastrum | Chenopodiaceae |
|
| Girgensohnia oppositiflora | Girgensohnia | Chenopodiaceae | |
| Euphorbia jaxartica | Euphorbia | Euphorbiaceae | |
| Malva rotundifolia | Malva | Malvaceae |
|
| Davidsonia pruriens | Davidsonia | Cunoniaceae |
|
| Centaurea dealbata | Centaurea | Asteraceae |
 |
| Bosistoa floydii | Bosistoa | Rutaceae | |
| Austrobaileya scandens | Austrobaileya | Austrobaileyaceae | |
| Aralia hispida | Aralia | Araliaceae |
|
| Papaver glaucum | Papaver | Papaveraceae |
Ingredient ID: NPC472266
Formula: C20H36O2
Ingredient ID: NPC472266
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C[C@@H](CCC1OC(=O)C=C1C)CCC[C@@H](CCCC(C)C)C |
| Standard InCHI | InChI=1S/C20H36O2/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)14-20(21)22-19/h14-17,19H,6-13H2,1-5H3/t16-,17-,19?/m1/s1 |
| Standard InCHIKey | JSFGMLXYFVQJCV-QNZPCDNOSA-N |
| Ingredient External Links |
ChEMBL ID: CHEMBL3356401 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC472266] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC472265
Formula: C29H46O2
Ingredient ID: NPC472265
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](C/C=C(/C(=O)C)C(C)C)C)C)C1)C |
| Standard InCHI | InChI=1S/C29H46O2/c1-18(2)23(20(4)30)9-7-19(3)25-11-12-26-24-10-8-21-17-22(31)13-15-28(21,5)27(24)14-16-29(25,26)6/h8-9,18-19,22,24-27,31H,7,10-17H2,1-6H3/b23-9+/t19-,22+,24+,25-,26+,27+,28+,29-/m1/s1 |
| Standard InCHIKey | FVDBETHWYUBTJW-FONZPGPPSA-N |
| Ingredient External Links |
ChEMBL ID: CHEMBL3356399 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC472265] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC472264
Formula: C28H47NO4
Ingredient ID: NPC472264
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C[C@H](CCC[C@@H](CCCC(C)C)C)CCC/C(=C/COC(=O)CCC1=C(C)C(=NC1=O)O)/C |
| Standard InCHI | InChI=1S/C28H47NO4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)18-19-33-26(30)17-16-25-24(6)27(31)29-28(25)32/h18,20-22H,7-17,19H2,1-6H3,(H,29,31,32)/b23-18+/t21-,22-/m1/s1 |
| Standard InCHIKey | HGGYIQWUUJPSKB-MRIFWDATSA-N |
| Ingredient External Links |
ChEMBL ID: CHEMBL3356396 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC472264] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC471133
Formula: C18H26O2
Ingredient ID: NPC471133
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=C[C@H]1c2c(C)ccc(c2[C@H]([C@@H]1C(O)(C)C)O)C)C |
| Standard InCHI | InChI=1S/C18H26O2/c1-10(2)9-13-14-11(3)7-8-12(4)15(14)17(19)16(13)18(5,6)20/h7-9,13,16-17,19-20H,1-6H3/t13-,16+,17+/m0/s1 |
| Standard InCHIKey | JAAABDADPJRGCF-IAOVAPTHSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
PMID: 23548547 Database: NPASS [NPC471133] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC33913
Formula: C27H42O2
Ingredient ID: NPC33913
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/C(=O)C(C)C)C)C)C1)C |
| Standard InCHI | InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,11,17-18,20-24,28H,8-10,12-16H2,1-5H3/b11-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| Standard InCHIKey | VMXMLOFNEQBYHM-INVHITAPSA-N |
| Ingredient External Links |
ChEMBL ID: CHEMBL3356400 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC33913] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC269677
Formula: C29H50O4
Ingredient ID: NPC269677
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C[C@H](CCC[C@@H](CCCC(C)C)C)CCC[C@]1(C)CC[C@]2(O1)C(=O)C(=C(C(=O)[C@]2(C)O)C)C |
| Standard InCHI | InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(7)18-19-29(33-27)26(31)24(6)23(5)25(30)28(29,8)32/h20-22,32H,9-19H2,1-8H3/t21-,22-,27-,28+,29+/m1/s1 |
| Standard InCHIKey | XSELOQGXDYVVCH-CYDJTLQWSA-N |
| Ingredient External Links |
PubChem CID: NA ZINC ID: ZINC000095919053 ChEMBL ID: CHEMBL3356398 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC269677] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gynura segetum | Gynura | Asteraceae |
|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC26960
Formula: C20H40O
Ingredient ID: NPC26960
| Common Name | Trans-Phytol |
| IUPAC Name | (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
| Canonical SMILES | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C |
| Standard InCHI | InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1 |
| Standard InCHIKey | BOTWFXYSPFMFNR-PYDDKJGSSA-N |
| Ingredient External Links |
PubChem CID: 5280435 ZINC ID: ZINC000003861087 ChEMBL ID: CHEMBL1644111 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC26960] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Citrus unshiu | Citrus | Rutaceae |
|
| Artemisia apiacea | Artemisia | Asteraceae |
|
| Tristania conferta | Tristania | Myrtaceae | |
| Plectranthus myrianthus | Plectranthus | Lamiaceae | |
| Pentaclethra macrophylla | Pentaclethra | Fabaceae |
|
| Artemisia capillaris | Artemisia | Asteraceae |
|
| Veronica polita | Veronica | Plantaginaceae |
|
| Byrsonima microphylla | Byrsonima | Malpighiaceae | |
| Barbacenia flava | Barbacenia | Velloziaceae | |
| Crotalaria madurensis | Crotalaria | Fabaceae |
|
| Forsythia japonica | Forsythia | Oleaceae | |
| Glycosmis macrophylla | Glycosmis | Rutaceae | |
| Stephania zippeliana | Stephania | Menispermaceae | |
| Eucalyptus apodophylla | Eucalyptus | Myrtaceae |
|
| Cassipourea guianensis | Cassipourea | Rhizophoraceae | |
| Hypericum polyanthemum | Hypericum | Hypericaceae | |
| Distephanus angulifolius | Distephanus | Asteraceae | |
| Periploca sepium | Periploca | Apocynaceae |
|
| Thymus quinquecostatus | Thymus | Lamiaceae |
|
| Campylotropis hirtella | Campylotropis | Fabaceae |
|
| Senegalia catechu | Senegalia | Fabaceae |
|
| Pyrola japonica | Pyrola | Ericaceae |
|
| Taraxacum platycarpum | Taraxacum | Asteraceae |
|
| Lespedeza davidii | Lespedeza | Fabaceae | |
| Houttuynia cordata | Houttuynia | Saururaceae |
|
| Angiopteris evecta | Angiopteris | Marattiaceae |
|
| Taraxacum borealisinense | Taraxacum | Asteraceae | |
| Scutellaria barbata | Scutellaria | Lamiaceae |
|
| Prunella vulgaris | Prunella | Lamiaceae |
|
| Senecio flammeus | Senecio | Asteraceae | |
| Agrimonia pilosa | Agrimonia | Rosaceae |
|
| Breonia chinensis | Breonia | Rubiaceae |
|
| Tectona grandis | Tectona | Lamiaceae |
|
| Clerodendranthus spicatus | Clerodendranthus | Lamiaceae | |
| Phlegmariurus fordii | Phlegmariurus | Lycopodiaceae |
|
| Ormosia flava | Ormosia | Fabaceae | |
| Thymus vulgaris | Thymus | Lamiaceae |
|
| Eclipta prostrata | Eclipta | Asteraceae |
|
| Buxus wallichiana | Buxus | Buxaceae |
|
| Chrysanthemum x morifolium | Chrysanthemum | Asteraceae |
|
| Zingiber officinale | Zingiber | Zingiberaceae |
|
| Patrinia scabiosifolia | Patrinia | Caprifoliaceae |
|
| Rhododendron dauricum | Rhododendron | Ericaceae |
|
| Pometia eximia | Pometia | Sapindaceae | |
| Hyperbaena columbica | Hyperbaena | Menispermaceae | |
| Chrysanthemum indicum | Chrysanthemum | Asteraceae |
|
| Sideritis romana | Sideritis | Lamiaceae | |
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
| Mentha cardiaca | Mentha | Lamiaceae | |
| Cyperus rotundus | Cyperus | Cyperaceae |
|
| Leptosyne bigelovii | Leptosyne | Asteraceae | |
| Taraxacum coreanum | Taraxacum | Asteraceae | |
| Micranthemum umbrosum | Micranthemum | Plantaginaceae | |
| Rhodiola semenovii | Rhodiola | Crassulaceae | |
| Carpesium faberi | Carpesium | Asteraceae | |
| Leonurus japonicus | Leonurus | Lamiaceae |
|
| Stevia origanoides | Stevia | Asteraceae | |
| Linum usitatissimum | Linum | Linaceae |
|
| Citrus reticulata | Citrus | Rutaceae |
|
| Euphorbia hirta | Euphorbia | Euphorbiaceae |
|
| Viburnum grandifolium | Viburnum | Adoxaceae | |
| Artemisia annua | Artemisia | Asteraceae |
|
| Taraxacum officinale | Taraxacum | Asteraceae |
|
| Taraxacum mongolicum | Taraxacum | Asteraceae |
|
| Piper betle | Piper | Piperaceae |
|
| Veratrum sabadilla | Veratrum | Melanthiaceae | |
| Citrus maxima | Citrus | Rutaceae |
|
| Aster altaicus | Aster | Asteraceae | |
| Senna alexandrina | Senna | Fabaceae |
|
| Panax ginseng | Panax | Araliaceae |
|
| Polygonatum kingianum | Polygonatum | Asparagaceae |
|
| Dendrobium densiflorum | Dendrobium | Orchidaceae | |
| Castilleja sulphurea | Castilleja | Orobanchaceae | |
| tripolium vulgare | Tripolium | Asteraceae | |
| Hymenoxys scaposa | Hymenoxys | Asteraceae | |
| Anemone narcissiflora | Anemone | Ranunculaceae |
|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae |
|
| Andrographis paniculata | Andrographis | Acanthaceae |
|
| Eleutherococcus giraldii | Eleutherococcus | Araliaceae | |
| Solanum aethiopicum | Solanum | Solanaceae |
|
| Amomum neoaurantiacum | Amomum | Zingiberaceae | |
| Trichilia claussenii | Trichilia | Meliaceae | |
| Crotalaria candicans | Crotalaria | Fabaceae | |
| Chlamydomonas reinhardtii | Chlamydomonas | Chlamydomonadaceae | |
| Hypericum perforatum | Hypericum | Hypericaceae |
|
| Lindera aggregata | Lindera | Lauraceae | |
| Cassia roxburghii | Cassia | Fabaceae | |
| Eria japonica | Eria | Orchidaceae | |
| Cecropia pachystachya | Cecropia | Urticaceae |
|
| Salvia sessei | Salvia | Lamiaceae | |
| Juniperus drupacea | Juniperus | Cupressaceae |
|
| Ceropegia dichotoma | Ceropegia | Apocynaceae |
|
| Gymnosporia trigyna | Gymnosporia | Celastraceae | |
| Ononis spinosa | Ononis | Fabaceae |
|
| Crinum moorei | Crinum | Amaryllidaceae | |
| Eucalyptus globulus subsp. bicostata | Eucalyptus | Myrtaceae |
|
| Artocarpus altilis | Artocarpus | Moraceae |
|
| Magnolia officinalis rehd et wils | Magnolia | Magnoliaceae | |
| Dendrobium loddigesii | Dendrobium | Orchidaceae |
|
| Perilla frutescens | Perilla | Lamiaceae |
|
| Glehnia littoralis | Glehnia | Apiaceae |
|
| Centipeda minima | Centipeda | Asteraceae |
|
| Gypsophila perfoliata | Gypsophila | Caryophyllaceae | |
| Lomatia silaifolia | Lomatia | Proteaceae | |
| Patrinia villosa | Patrinia | Caprifoliaceae |
|
| Asclepias curassavica | Asclepias | Apocynaceae |
|
| Dioscorea sativa | Dioscorea | Dioscoreaceae |
|
| Pterocaulon virgatum | Pterocaulon | Asteraceae |
|
| Huperzia miyoshiana | Huperzia | Lycopodiaceae | |
| Vernonia cistifolia | Vernonia | Asteraceae | |
| Pseudobrickellia brasiliensis | Pseudobrickellia | Asteraceae | |
| Sonneratia caseolaris | Sonneratia | Lythraceae |
|
| Rhododendron latoucheae | Rhododendron | Ericaceae |
Ingredient ID: NPC242628
Formula: C18H26O2
Ingredient ID: NPC242628
| Common Name | n.a. |
| IUPAC Name | (E)-4-[2-[(E)-3-hydroxy-3-methylbut-1-enyl]-3,6-dimethylphenyl]-2-methylbut-3-en-2-ol |
| Canonical SMILES | CC(/C=C/c1c(C)ccc(c1/C=C/C(O)(C)C)C)(O)C |
| Standard InCHI | InChI=1S/C18H26O2/c1-13-7-8-14(2)16(10-12-18(5,6)20)15(13)9-11-17(3,4)19/h7-12,19-20H,1-6H3/b11-9+,12-10+ |
| Standard InCHIKey | HMHFCIOLAIQIJJ-WGDLNXRISA-N |
| Ingredient External Links |
PubChem CID: 71600584 |
| Plant-Ingredient Association Reference |
PMID: 23548547 Database: NPASS [NPC242628] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC241290
Formula: C29H48O2
Ingredient ID: NPC241290
| Common Name | (3Beta,24S)-Stigmasta-5,28-Diene-3,24-Diol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroxy-5-propan-2-ylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | C=C[C@@](C(C)C)(CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)O |
| Standard InCHI | InChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1 |
| Standard InCHIKey | OPGVEUGCNGNPSX-BDCPAJACSA-N |
| Ingredient External Links |
PubChem CID: 14161397 ChEMBL ID: CHEMBL489548 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC241290] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC209944
Formula: C29H48O2
Ingredient ID: NPC209944
| Common Name | (3Beta,24R)-Stigmasta-5,28-Diene-3,24-Diol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-5-propan-2-ylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Canonical SMILES | C=C[C@](C(C)C)(CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)O |
| Standard InCHI | InChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29-/m1/s1 |
| Standard InCHIKey | OPGVEUGCNGNPSX-MEBFPAKGSA-N |
| Ingredient External Links |
PubChem CID: 14161396 ChEMBL ID: CHEMBL524098 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC209944] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC166885
Formula: C16H10O7
Ingredient ID: NPC166885
| Common Name | n.a. |
| IUPAC Name | 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid |
| Canonical SMILES | Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)C(=O)O |
| Standard InCHI | InChI=1S/C16H10O7/c1-5-2-7-12(14(20)10(5)16(22)23)15(21)11-8(13(7)19)3-6(17)4-9(11)18/h2-4,17-18,20H,1H3,(H,22,23) |
| Standard InCHIKey | UZOHDKGTYVTYDZ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 160483 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD47369] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Alstonia scholaris | Alstonia | Apocynaceae |
|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
| Drynaria fortunei | Drynaria | Polypodiaceae |
|
Ingredient ID: NPC144629
Formula: C29H50O4
Ingredient ID: NPC144629
| Common Name | n.a. |
| IUPAC Name | (2S,5R,9S)-9-acetyl-9-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-1-oxaspiro[4.4]non-7-en-6-one |
| Canonical SMILES | C[C@@H](CCC[C@@]1(C)CC[C@]2(O1)C(=O)C(=C([C@@]2(O)C(=O)C)C)C)CCC[C@@H](CCCC(C)C)C |
| Standard InCHI | InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(33-27)26(31)23(5)24(6)29(28,32)25(7)30/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28+,29-/m1/s1 |
| Standard InCHIKey | NFNYYDIZCJKCQK-FKODAYNLSA-N |
| Ingredient External Links |
PubChem CID: 21674156 |
| Plant-Ingredient Association Reference |
PMID: 25497963 Database: NPASS [NPC144629] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Ingredient ID: NPC124091
Formula: C32H30O14
Ingredient ID: NPC124091
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@@H]([C@@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@@H]([C@]1(O2)C(=O)OC)O)C |
| Standard InCHI | InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12+,27-,28-,31+,32-/m0/s1 |
| Standard InCHIKey | DRYDKQOPVBDZMQ-PBAWWTFPSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD60178] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC124091 | C32H30O14 | 638.1635556 | -3.5154 | 3.44 | -0.006 | 10 | 6 | 226.58 | 5 | 6 | 46 | 1 | |
| NPC144629 | C29H50O4 | 462.3709101 | 1.8338 | 4.21 | 7.971 | 4 | 1 | 63.6 | 22 | 2 | 33 | 2 | |
| NPC166885 | C16H10O7 | 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid | 314.0426527 | -1.5063 | 2.45 | 0.884 | 4 | 4 | 132.13 | 1 | 3 | 23 | 0 |
| NPC209944 | C29H48O2 | (3Beta,24R)-Stigmasta-5,28-Diene-3,24-Diol | 428.37 | 1.8051 | 4.43 | 8.59 | 2 | 2 | 40.46 | 13 | 4 | 31 | 1 |
| NPC241290 | C29H48O2 | (3Beta,24S)-Stigmasta-5,28-Diene-3,24-Diol | 428.37 | 1.8051 | 4.43 | 8.59 | 2 | 2 | 40.46 | 13 | 4 | 31 | 1 |
| NPC242628 | C18H26O2 | 274.1932801 | 2.4872 | 3.22 | 5.472 | 2 | 2 | 40.46 | 12 | 1 | 20 | 1 | |
| NPC26960 | C20H40O | Trans-Phytol | 296.31 | 1.7816 | 3.55 | 8.949 | 1 | 1 | 20.23 | 19 | 0 | 21 | 2 |
| NPC269677 | C29H50O4 | 462.37 | 2.2634 | 4.21 | 8.661 | 4 | 1 | 63.6 | 21 | 2 | 33 | 2 | |
| NPC33913 | C27H42O2 | 398.32 | 1.5903 | 4.21 | 7.691 | 2 | 1 | 37.3 | 10 | 4 | 29 | 1 | |
| NPC471133 | C18H26O2 | 274.19 | 2.0263 | 3.22 | 5.051 | 2 | 2 | 40.46 | 10 | 2 | 20 | 1 | |
| NPC472264 | C28H47NO4 | 461.35 | 2.1153 | 3.99 | 9.48 | 5 | 1 | 75.96 | 25 | 1 | 33 | 2 | |
| NPC472265 | C29H46O2 | 426.35 | 1.4123 | 4.43 | 8.867 | 2 | 1 | 37.3 | 12 | 4 | 31 | 1 | |
| NPC472266 | C20H36O2 | 308.27 | 1.9197 | 3.44 | 8.257 | 2 | 0 | 26.3 | 16 | 1 | 22 | 2 | |
| NPC61473 | C29H50O3 | Alpha-Tocoquinone | 446.38 | 3.0732 | 4.32 | 8.993 | 3 | 1 | 54.37 | 24 | 1 | 32 | 2 |
| NPC96663 | C22H42O2 | 338.3184806 | 2.1607 | 3.66 | 9.689 | 2 | 0 | 26.3 | 21 | 0 | 24 | 2 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
