Natural Product: NPC232673
Natural Product ID:   | NPC232673 |
Common Name*:   | KKLWTTVTWMTNBP-KYXYLJOWSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | KKLWTTVTWMTNBP-KYXYLJOWSA-N |
Standard InCHI:   | InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1 |
SMILES:   | COc1cc(/C=C/C(=O)O)cc(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OC
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
5280550 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0004603] Organic oxygen compounds
-
[CHEMONTID:0000323] Organooxygen compounds
[CHEMONTID:0000011] Carbohydrates and carbohydrate conjugates[CHEMONTID:0002105] Glycosyl compounds[CHEMONTID:0004165] Phenolic glycosides
|
*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 |
NPO24176 |
Streptomyces fradiae |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[10757717] |
NPO2353 |
Bituminaria bituminosa |
Species |
Fabaceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[12943781] |
NPO7484 |
Salacia chinensis |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12951446] |
NPO7484 |
Salacia chinensis |
Species |
Celastraceae |
Eukaryota |
stems |
Thailand |
n.a. |
PMID[14510595] |
NPO14555 |
Porella swartziana |
Species |
Porellaceae |
Eukaryota |
n.a. |
Argentine |
n.a. |
PMID[14738381] |
NPO14555 |
Porella swartziana |
Species |
Porellaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[14738381] |
NPO14775 |
Eupenicillium javanicum |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17711347] |
NPO14775 |
Eupenicillium javanicum |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18771240] |
NPO12977 |
Solenopsis invicta |
Species |
Formicidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[21905650] |
NPO23289 |
Heracleum sphondylium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24697288] |
NPO41077 |
Xanthoceras sorbifolia Bunge |
Strain |
Sapindaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[27623545] |
NPO40254 |
Opuntia humifusa |
Species |
Cactaceae |
Eukaryota |
Cladodes |
n.a. |
n.a. |
PMID[32118424] |
NPO14826 |
Streptomyces mobaraensis |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[32998509] |
NPO3457 |
Streptomyces diastaticus |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[8904845] |
NPO9420 |
Aspergillus arenarius |
Species |
Aspergillaceae |
Eukaryota |
sclerotia |
n.a. |
n.a. |
PMID[9599285] |
NPO16847 |
Consolida ajacis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15510 |
Kummerowia striata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5728 |
Gerbera piloselloides |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12416 |
Quercus mongolica |
Species |
Fagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15961 |
Sida cordifolia |
Species |
Malvaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23289 |
Heracleum sphondylium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5728 |
Gerbera piloselloides |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14869 |
Ormosia panamensis |
Species |
Limoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16807 |
Cyclamen purpurascens |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15510 |
Kummerowia striata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12450 |
Cneorum pulverulentum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15961 |
Sida cordifolia |
Species |
Malvaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23289 |
Heracleum sphondylium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16847 |
Consolida ajacis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12416 |
Quercus mongolica |
Species |
Fagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16847 |
Consolida ajacis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO5728 |
Gerbera piloselloides |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12416 |
Quercus mongolica |
Species |
Fagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO16175 |
Trichia floriformis |
Species |
Trichiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14034 |
Salvia coulteri |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13859 |
Senecio flavus |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11881 |
Adenopeltis colliguaya |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14775 |
Eupenicillium javanicum |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13230 |
Pedicularis condensata |
Species |
Orobanchaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9780 |
Merremia umbellata |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14869 |
Ormosia panamensis |
Species |
Limoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11599 |
Elaeagnus commutata |
Species |
Elaeagnaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5728 |
Gerbera piloselloides |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2353 |
Bituminaria bituminosa |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5811 |
Pityrodia lepidota |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9420 |
Aspergillus arenarius |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13710 |
Lyophyllum shimeji |
Species |
Lyophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16678 |
Flindersia brayleyana |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3391 |
Jungermannia obovata |
Species |
Jungermanniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12450 |
Cneorum pulverulentum |
Species |
Rutaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20448 |
Trifolium caucasicum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15272 |
Mascarenhasia arborescens |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14826 |
Streptomyces mobaraensis |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12680 |
Perityle vaseyi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5078 |
Turraeanthus mannii |
Species |
Meliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15858 |
Phoebe formosana |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15510 |
Kummerowia striata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12416 |
Quercus mongolica |
Species |
Fagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15961 |
Sida cordifolia |
Species |
Malvaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16428 |
Millettia conraui |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15393 |
Eucalyptus flocktoniae |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24176 |
Streptomyces fradiae |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15015 |
Meconopsis napaulensis |
Species |
Papaveraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13375 |
Palafoxia rosea |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26017 |
Dalbergia stipulacea |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16847 |
Consolida ajacis |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12555 |
Aspergillus quadrilineatus |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24732 |
Cereus weberi |
Species |
Sagartiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14218 |
Spodoptera littoralis |
Species |
0ctuidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23289 |
Heracleum sphondylium |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15138 |
Rheum webbianum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4267 |
Ceratocystis clavigera |
Species |
Ceratocystidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4935 |
Dinemasporium strigosum |
Species |
Chaetosphaeriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12977 |
Solenopsis invicta |
Species |
Formicidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16516 |
Centaurea seridis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3457 |
Streptomyces diastaticus |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14555 |
Porella swartziana |
Species |
Porellaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16758 |
Satureja cuneifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15755 |
Thymbra spicata |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16807 |
Cyclamen purpurascens |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11194 |
Bombus hortorum |
Species |
Apidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13548 |
Chrozophora obliqua |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5269 |
Coleus garckeanus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5552 |
Solanum sisymbriifolium |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8499 |
Osmerus mordax |
Species |
Osmeridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7484 |
Salacia chinensis |
Species |
Celastraceae |
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
Activity Type |
# Activity |
IC50 |
1 |
Others |
4 |
Activity Type |
# Activity |
NON-MOLECULAR |
5 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
Activity |
= |
94.48 |
% |
PMID[27623545] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
IC50 |
> |
100000.0 |
nM |
PMID[27623545] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
Activity |
= |
96.33 |
% |
PMID[27623545] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
Activity |
= |
93.08 |
% |
PMID[27623545] |
NPT20529 |
NON-MOLECULAR |
NON-PROTEIN TARGET |
n.a. |
Activity |
= |
95.59 |
% |
PMID[27623545] |
☑ 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
●  The left chart: Distribution of similarity level between NPC232673 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 | 308 |
0.1-0.2 | 1523 |
0.2-0.3 | 4386 |
0.3-0.4 | 9809 |
0.4-0.5 | 8284 |
0.5-0.6 | 4857 |
0.6-0.7 | 7377 |
0.7-0.8 | 5259 |
0.8-0.85 | 655 |
0.85-0.9 | 192 |
0.9-0.95 | 43 |
0.95-1 | 4 |
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 NPC232673 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 256 |
0.1-0.2 | 852 |
0.2-0.3 | 1956 |
0.3-0.4 | 2817 |
0.4-0.5 | 1739 |
0.5-0.6 | 963 |
0.6-0.7 | 480 |
0.7-0.8 | 84 |
0.8-0.85 | 3 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |