Natural Product: NPC317111
Natural Product ID:   | NPC317111 |
Common Name*:   | OVSQVDMCBVZWGM-MVBIBXSTSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | OVSQVDMCBVZWGM-MVBIBXSTSA-N |
Standard InCHI:   | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17-,18-,21?/m1/s1 |
SMILES:   | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
12304324 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
|
*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 |
NPO21072 |
Rhododendron dauricum |
Species |
Ericaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
DOI[10.1007/BF02329610] |
NPO17494 |
Prunella vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
stem |
n.a. |
DOI[10.1016/0031-9422(86)88033-5] |
NPO17494 |
Prunella vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
DOI[10.1016/0031-9422(86)88033-5] |
NPO17494 |
Prunella vulgaris |
Species |
Lamiaceae |
Eukaryota |
whole plant |
n.a. |
n.a. |
DOI[10.1016/j.tetlet.2016.12.029] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10543912] |
NPO26919 |
Sanguisorba officinalis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11520216] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11914965] |
NPO23024 |
Epimedium koreanum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12081149] |
NPO21072 |
Rhododendron dauricum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15270561] |
NPO15704 |
Euphorbia lunulata |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
whole plant |
n.a. |
PMID[15744103] |
NPO18673 |
Rhododendron anthopogonoides |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20586436] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
xylem |
n.a. |
PMID[21348469] |
NPO23024 |
Epimedium koreanum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[22051934] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22281186] |
NPO23024 |
Epimedium koreanum |
Species |
Berberidaceae |
Eukaryota |
aerial parts |
herbal garden of Chungbuk National University, Cheongju, Korea |
2012-Oct |
PMID[24963714] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27116034] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27588326] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29099182] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29667821] |
NPO14089 |
Hypericum ascyron |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[30379546] |
NPO26763 |
Rhododendron micranthum |
Species |
Ericaceae |
Eukaryota |
Leaves |
n.a. |
n.a. |
PMID[30452260] |
NPO14089 |
Hypericum ascyron |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31596079] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32881525] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[3735324] |
NPO23024 |
Epimedium koreanum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
Database[Article] |
NPO28334 |
Pyrola decorata |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO14089 |
Hypericum ascyron |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23024 |
Epimedium koreanum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1613 |
Cuscuta chinensis |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26919 |
Sanguisorba officinalis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21072 |
Rhododendron dauricum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO17494 |
Prunella vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16884 |
Convallaria keiskei |
Species |
Asparagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18673 |
Rhododendron anthopogonoides |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25033 |
Pyrola calliantha |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15704 |
Euphorbia lunulata |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO26763 |
Rhododendron micranthum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16145 |
Apocynum venetum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25033 |
Pyrola calliantha |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15704 |
Euphorbia lunulata |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26919 |
Sanguisorba officinalis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO28334 |
Pyrola decorata |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16145 |
Apocynum venetum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO14089 |
Hypericum ascyron |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO16884 |
Convallaria keiskei |
Species |
Asparagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO26763 |
Rhododendron micranthum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18673 |
Rhododendron anthopogonoides |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21072 |
Rhododendron dauricum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17494 |
Prunella vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1613 |
Cuscuta chinensis |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23024 |
Epimedium koreanum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1613 |
Cuscuta chinensis |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO28334 |
Pyrola decorata |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO25033 |
Pyrola calliantha |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO23024 |
Epimedium koreanum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO18673 |
Rhododendron anthopogonoides |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO17494 |
Prunella vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO16884 |
Convallaria keiskei |
Species |
Asparagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO26763 |
Rhododendron micranthum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO31579 |
Artemisia capillaries |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO15704 |
Euphorbia lunulata |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21072 |
Rhododendron dauricum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO14089 |
Hypericum ascyron |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO16145 |
Apocynum venetum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO26919 |
Sanguisorba officinalis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO23024 |
Epimedium koreanum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21072 |
Rhododendron dauricum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO16145 |
Apocynum venetum |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1613 |
Cuscuta chinensis |
Species |
Convolvulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO17494 |
Prunella vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO26919 |
Sanguisorba officinalis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO1436 |
Houttuynia cordata |
Species |
Saururaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO25033 |
Pyrola calliantha |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14089 |
Hypericum ascyron |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18673 |
Rhododendron anthopogonoides |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18007 |
Agrimonia pilosa |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15704 |
Euphorbia lunulata |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26919 |
Sanguisorba officinalis |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO28334 |
Pyrola decorata |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26763 |
Rhododendron micranthum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO523 |
Tussilago farfara |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21072 |
Rhododendron dauricum |
Species |
Ericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16884 |
Convallaria keiskei |
Species |
Asparagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23024 |
Epimedium koreanum |
Species |
Berberidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17494 |
Prunella vulgaris |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12582 |
Camptotheca acuminata |
Species |
Nyssaceae |
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 NPC317111 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
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 NPC317111 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |