Natural Product: NPC204759
Natural Product ID:   | NPC204759 |
Common Name*:   | PZZRDJXEMZMZFD-RLDUMJPOSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | PZZRDJXEMZMZFD-RLDUMJPOSA-N |
Standard InCHI:   | InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15?,17?,20-/m0/s1 |
SMILES:   | c1cc(c(cc1c1c(c(=O)c2c(cc(cc2o1)O)O)O[C@H]1C(C([C@H](CO1)O)O)O)O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
44259215 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000261] Phenylpropanoids and polyketides
-
[CHEMONTID:0000334] Flavonoids
[CHEMONTID:0001111] Flavonoid glycosides[CHEMONTID:0001583] Flavonoid O-glycosides[CHEMONTID:0003531] Flavonoid-3-O-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 |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
DOI[10.1016/j.foodchem.2010.03.088] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
DOI[10.1016/S0031-9422(00)94055-X] |
NPO25272 |
Celastrus angulatus |
Species |
Celastraceae |
Eukaryota |
n.a. |
seed |
n.a. |
DOI[10.1016/S0031-9422(99)00216-2] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1078/0176-1617-00195] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
flower |
n.a. |
DOI[10.3390/70200245] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10757735] |
NPO11391 |
Polygonum cuspidatum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11076555] |
NPO11391 |
Polygonum cuspidatum |
Species |
Polygonaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[11459643] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[12575075] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[12575075] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[14735439] |
NPO11391 |
Polygonum cuspidatum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[1517743] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[15577255] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
callus |
n.a. |
PMID[15715262] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[16564530] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18220354] |
NPO31520 |
Polygonum multiflorum |
Species |
Polygonaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[24499304] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24617303] |
NPO25272 |
Celastrus angulatus |
Species |
Celastraceae |
Eukaryota |
seeds and root bark |
Henan, China |
n.a. |
PMID[26295746] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28445039] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[29359942] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[30024167] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[30188125] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31738062] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[31944695] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[4013523] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
Roots; Tubers |
n.a. |
n.a. |
PMID[7714535] |
NPO11391 |
Polygonum cuspidatum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[8277318] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Fruit |
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Leaf |
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Plant |
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11391 |
Polygonum cuspidatum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25272 |
Celastrus angulatus |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14105.2 |
Panax pseudo-ginseng var. notoginseng |
Varieties |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14148.1 |
Panax pseudo - ginseng var. notoginseng |
Varieties |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16741 |
Codonopsis pilosula |
Species |
Campanulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO31520 |
Polygonum multiflorum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
Fruits |
n.a. |
|
Database[Phenol-Explorer] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO25272 |
Celastrus angulatus |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14105.2 |
Panax pseudo-ginseng var. notoginseng |
Varieties |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16741 |
Codonopsis pilosula |
Species |
Campanulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11391 |
Polygonum cuspidatum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16741 |
Codonopsis pilosula |
Species |
Campanulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO31520 |
Polygonum multiflorum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11391 |
Polygonum cuspidatum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO25272 |
Celastrus angulatus |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO16741 |
Codonopsis pilosula |
Species |
Campanulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO29417 |
Fallopia multiflora |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11391 |
Polygonum cuspidatum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO28295 |
Foeniculum vulgare |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16741 |
Codonopsis pilosula |
Species |
Campanulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO29463 |
Pogostemon cablin |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11391 |
Polygonum cuspidatum |
Species |
Polygonaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11329 |
Echinops grijsii |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25272 |
Celastrus angulatus |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4391 |
Hypericum perforatum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3359 |
Psidium guajava |
Species |
Myrtaceae |
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
●  The left chart: Distribution of similarity level between NPC204759 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 | 463 |
0.1-0.2 | 1895 |
0.2-0.3 | 4423 |
0.3-0.4 | 10023 |
0.4-0.5 | 7901 |
0.5-0.6 | 4220 |
0.6-0.7 | 5307 |
0.7-0.8 | 5185 |
0.8-0.85 | 1550 |
0.85-0.9 | 1099 |
0.9-0.95 | 438 |
0.95-1 | 193 |
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 NPC204759 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 421 |
0.1-0.2 | 956 |
0.2-0.3 | 2010 |
0.3-0.4 | 2681 |
0.4-0.5 | 1740 |
0.5-0.6 | 889 |
0.6-0.7 | 294 |
0.7-0.8 | 122 |
0.8-0.85 | 9 |
0.85-0.9 | 17 |
0.9-0.95 | 10 |
0.95-1 | 1 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |