Natural Product: NPC247835
Natural Product ID:   | NPC247835 |
Common Name*:   | SECPZKHBENQXJG-UHFFFAOYSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | SECPZKHBENQXJG-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18) |
SMILES:   | CCCCCCC=CCCCCCCCC(=O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
4668 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0003909] Fatty Acyls
[CHEMONTID:0000262] Fatty acids and conjugates[CHEMONTID:0002949] Long-chain fatty acids
|
*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
  Species Source
Organism ID |
Organism Name |
Taxonomy Level |
Family |
SuperKingdom |
Isolation Part |
Collection Location |
Collection Time |
Reference |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
stem |
n.a. |
DOI[10.1021/np50063a031] |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
twig |
n.a. |
DOI[10.1021/np50063a031] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
Fruits |
n.a. |
n.a. |
PMID[10579867] |
NPO16456 |
Mirabilis jalapa |
Species |
Nyctaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11277746] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
subterranean part |
n.a. |
n.a. |
PMID[11374949] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[11536386] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[11975496] |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15165134] |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[16254827] |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
twig |
n.a. |
PMID[16254827] |
NPO16566 |
Cinnamosma madagascariensis |
Species |
Canellaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18179176] |
NPO17999 |
Sonneratia alba |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19835393] |
NPO22097 |
Plakinastrella clathrata |
Species |
Plakinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21261297] |
NPO16812 |
Ajuga bracteosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[21539300] |
NPO9189 |
Streptomyces atratus |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[21868221] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22281186] |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22316191] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
fruits |
n.a. |
n.a. |
PMID[24035341] |
NPO5119 |
Pseudomonas chlororaphis |
Species |
Pseudomonadaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[25679537] |
NPO5119 |
Pseudomonas chlororaphis |
Species |
Pseudomonadaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[25901993] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27588326] |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[2778454] |
NPO15599 |
Daldinia concentrica |
Species |
n.a. |
Eukaryota |
Fruiting Bodies |
n.a. |
n.a. |
PMID[29715021] |
NPO14556 |
Iris missouriensis |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[3655793] |
NPO14556 |
Iris missouriensis |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[3734815] |
NPO16455 |
Xylopia aethiopica |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8158166] |
NPO14575 |
Periploca forrestii |
Species |
Cosmopterigidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16456 |
Mirabilis jalapa |
Species |
Nyctaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26788 |
Sophora viciifolia |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15004 |
Artemisia taurica |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8010 |
Otostegia fruticosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15004 |
Artemisia taurica |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11760 |
Teucrium orientale |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26788 |
Sophora viciifolia |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16456 |
Mirabilis jalapa |
Species |
Nyctaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14575 |
Periploca forrestii |
Species |
Cosmopterigidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4507 |
Bruguiera gymnorhiza |
Species |
Rhizophoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21437 |
Rhododendron aureum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO15004 |
Artemisia taurica |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO15599 |
Daldinia concentrica |
Species |
n.a. |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[Title] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11408 |
Podocarpus amarus |
Species |
Podocarpaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14782 |
Scymnorhinus lichi |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22097 |
Plakinastrella clathrata |
Species |
Plakinidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10770 |
Ptilota pectinata |
Species |
Ceramiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9951 |
Hyella caespitosa |
Species |
Hyellaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16215 |
Umbilicaria cinereorufescens |
Species |
Umbilicariaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17921 |
Allium monspessulanum |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17145 |
Aegiceras corniculatum |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15545 |
Veltheimia viridifolia |
Species |
Hyacinthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15919 |
Streptomyces caelestis |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26788 |
Sophora viciifolia |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13789 |
Paranephelius uniflorus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17071 |
Coeloseira pacifica |
Species |
Champiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21437 |
Rhododendron aureum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16923 |
Cereus chrysacanthus |
Species |
Sagartiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17375 |
Ceramium botryocarpum |
Species |
Ceramiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17999 |
Sonneratia alba |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22020 |
Ochrolechia pallescens |
Species |
Ochrolechiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16566 |
Cinnamosma madagascariensis |
Species |
Canellaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5119 |
Pseudomonas chlororaphis |
Species |
Pseudomonadaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14977 |
Harrisina brillians |
Species |
Zygaenidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28319 |
Ulva prolifera |
Species |
Ulvaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14002 |
Petalostemon purpureum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16455 |
Xylopia aethiopica |
Species |
Annonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16456 |
Mirabilis jalapa |
Species |
Nyctaginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17218 |
Helichrysum nudifolium |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15454 |
Vitex rotundifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28868 |
Pardachirus pavoninus |
Species |
Soleidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16052 |
Chromodoris obsoleta |
Species |
Chromodorididae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14813 |
Agaricus silvaticus |
Species |
Agaricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25550 |
Buchenavia tetraphylla |
Species |
Combretaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16812 |
Ajuga bracteosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28821 |
Stichopus horrens |
Species |
Stichopodidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15748 |
Hypoxis nyasica |
Species |
Hypoxidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17844 |
Agaricus integer |
Species |
Agaricaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17602 |
Arbutus menziesii |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17339 |
Macaranga sinensis |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14556 |
Iris missouriensis |
Species |
Iridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16695 |
Fumaria kraliki |
Species |
Papaveraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4507 |
Bruguiera gymnorhiza |
Species |
Rhizophoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13675 |
Sphaceloma randii |
Species |
Elsinoaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13013 |
Saccharothrix mutabilis |
Species |
Pseudonocardiaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7086 |
Parantica melaneus |
Species |
Nymphalidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8010 |
Otostegia fruticosa |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15555 |
Sesbania madagascariensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16329 |
Potebniamyces gallicola |
Species |
Phacidiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4336 |
Echiochilon pauciflorum |
Species |
Boraginaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7905 |
Lepista irina |
Species |
Tricholomataceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18073 |
Justicia trinervia |
Species |
Acanthaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2550 |
Trichoderma citrinum |
Species |
Hypocreaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15599 |
Daldinia concentrica |
Species |
n.a. |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11760 |
Teucrium orientale |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9189 |
Streptomyces atratus |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2155 |
Tephroseris integrifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO84 |
Isoberlinia angolensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15004 |
Artemisia taurica |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15637 |
Polygala cyparissias |
Species |
Polygalaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17304 |
Sipunculus nudus |
Species |
Sipunculidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14575 |
Periploca forrestii |
Species |
Cosmopterigidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  NP Quantity Composition/Concentration
Organism ID |
NP ID |
Organism Material Preparation |
Organism Part |
NP Quantity (Standard) |
NP Quantity (Minimum) |
NP Quantity (Maximum) |
Quantity Unit |
Reference |
☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
  Biological Activity
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
  Chemically structural similarity: I. Similar Active Natural Products in NPASS
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient ![](images/questionmark.png)
●  The left chart: Distribution of similarity level between NPC247835 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 138 |
0.1-0.2 | 2852 |
0.2-0.3 | 16555 |
0.3-0.4 | 12552 |
0.4-0.5 | 7039 |
0.5-0.6 | 2832 |
0.6-0.7 | 529 |
0.7-0.8 | 111 |
0.8-0.85 | 26 |
0.85-0.9 | 22 |
0.9-0.95 | 15 |
0.95-1 | 26 |
Similarity Score |
Similarity Level |
Natural Product ID |
  Chemically structural similarity: II. Similar Clinical/Approved Drugs
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC247835 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 116 |
0.1-0.2 | 3248 |
0.2-0.3 | 3837 |
0.3-0.4 | 1378 |
0.4-0.5 | 424 |
0.5-0.6 | 101 |
0.6-0.7 | 27 |
0.7-0.8 | 7 |
0.8-0.85 | 3 |
0.85-0.9 | 3 |
0.9-0.95 | 2 |
0.95-1 | 4 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |