Natural Product: NPC262435
Natural Product ID:   | NPC262435 |
Common Name*:   | JVMPQOAIHCWRMJ-KMKVIZFGSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | JVMPQOAIHCWRMJ-KMKVIZFGSA-N |
Standard InCHI:   | InChI=1S/C30H24O6/c31-19-11-13-21(23(33)15-19)29(35)27-25(17-7-3-1-4-8-17)28(26(27)18-9-5-2-6-10-18)30(36)22-14-12-20(32)16-24(22)34/h1-16,25-28,31-34H/t25-,26+,27-,28+ |
SMILES:   | c1ccc(cc1)[C@H]1[C@@H]([C@@H](c2ccccc2)[C@@H]1C(=O)c1ccc(cc1O)O)C(=O)c1ccc(cc1O)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
n.a. |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0004603] Organic oxygen compounds
-
[CHEMONTID:0000323] Organooxygen compounds
[CHEMONTID:0001831] Carbonyl compounds[CHEMONTID:0000118] Ketones[CHEMONTID:0003670] Aryl ketones[CHEMONTID:0004296] Phenylketones[CHEMONTID:0004298] Alkyl-phenylketones
|
*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 |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
seed |
n.a. |
DOI[10.1007/s11418-005-0009-z] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10691704] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16378371] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16643065] |
NPO8025 |
Aaptos ciliata |
Species |
Suberitidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[18257536] |
NPO5325 |
Lobophytum durum |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19177635] |
NPO5325 |
Lobophytum durum |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[19433363] |
NPO2765 |
Oxytropis falcata |
Species |
Fabaceae |
Eukaryota |
n.a. |
Sunan County, Gansu Province, China |
2006-JUN |
PMID[20684529] |
NPO5608 |
Croton gratissimus |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[22032651] |
NPO5608 |
Croton gratissimus |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[22032651] |
NPO2765 |
Oxytropis falcata |
Species |
Fabaceae |
Eukaryota |
whole plant |
Guide County, Qinghai Province, China |
2008-AUG |
PMID[22775441] |
NPO40901 |
Oxytropis chiliophylla |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
PMID[29400468] |
NPO8257 |
Carpha glomerata |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[30219526] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[32705864] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
Seed |
n.a. |
n.a. |
Database[FooDB] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
|
Database[FooDB] |
NPO6859 |
Eurycoma harmandiana |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO3344 |
Bryonia alba |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO6859 |
Eurycoma harmandiana |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8790 |
Cyanostegia angustifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2131 |
Dactylorhiza viridis |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO3344 |
Bryonia alba |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO373 |
Viburnum erubescens |
Species |
Adoxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO7418 |
Eucalyptus resinifera |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3838 |
Chrysosporum ovalisporum |
Species |
Aphanizomenonaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5608 |
Croton gratissimus |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1293 |
Streptomyces matensis |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6807 |
Ranunculus asiaticus |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5857 |
Achlya heterosexualis |
Species |
Saprolegniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5325 |
Lobophytum durum |
Species |
Alcyoniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9091 |
Orthosiphon spicatus |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2670 |
Maytenus chuchuhuasha |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4123 |
Trididemnum cyanophorum |
Species |
Didemnidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4901 |
Arnica mollis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO373 |
Viburnum erubescens |
Species |
Adoxaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1473 |
Xanthorhiza simplicissima |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2439 |
Diplopterygium glaucum |
Species |
Gleicheniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9594 |
Lysimachia fordiana |
Species |
Primulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6859 |
Eurycoma harmandiana |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3151 |
Solanum lanceolatum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2131 |
Dactylorhiza viridis |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9737 |
Ampelocera edentula |
Species |
Ulmaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10038.1 |
Abies pinsapo var. marocana |
Varieties |
Pinaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO6065 |
Brassica carinata |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8257 |
Carpha glomerata |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8790 |
Cyanostegia angustifolia |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5086 |
Alternaria macrospora |
Species |
Pleosporaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9867 |
Ixeris debilis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO784 |
Sinapis alba |
Species |
Brassicaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO1086 |
Botrytis cinerea |
Species |
Sclerotiniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2765 |
Oxytropis falcata |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8938 |
Halobacillus litoralis |
Species |
Bacillaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7032 |
Marasmiellus troyanus |
Species |
Omphalotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3344 |
Bryonia alba |
Species |
Cucurbitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4536 |
Remirea maritima |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13474 |
Euphrasia genargentea |
Species |
Orobanchaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21472 |
Pterolobium hexapetalum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO7845 |
Tephrosia elata |
Species |
Geometridae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO593 |
Wikstroemia viridiflora |
Species |
Thymelaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO10132 |
Schizophyllum lobatum |
Species |
Schizophyllaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8025 |
Aaptos ciliata |
Species |
Suberitidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO9998 |
Abies excelsa |
Species |
Pinaceae |
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 |
Others |
2 |
Activity Type |
# Activity |
Cell Line |
2 |
Target ID |
Target Type |
Target Name |
Target Organism |
Activity Type |
Activity Relation |
Value |
Unit |
Reference |
NPT306 |
Cell Line |
PC-3 |
Homo sapiens |
Activity |
= |
76.7 |
% |
PMID[29400468] |
NPT306 |
Cell Line |
PC-3 |
Homo sapiens |
Activity |
= |
12.8 |
% |
PMID[29400468] |
☑ 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 NPC262435 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 | 421 |
0.1-0.2 | 1789 |
0.2-0.3 | 4372 |
0.3-0.4 | 12482 |
0.4-0.5 | 6608 |
0.5-0.6 | 6042 |
0.6-0.7 | 6597 |
0.7-0.8 | 4052 |
0.8-0.85 | 274 |
0.85-0.9 | 47 |
0.9-0.95 | 5 |
0.95-1 | 8 |
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 NPC262435 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 396 |
0.1-0.2 | 942 |
0.2-0.3 | 1525 |
0.3-0.4 | 3035 |
0.4-0.5 | 2024 |
0.5-0.6 | 907 |
0.6-0.7 | 235 |
0.7-0.8 | 81 |
0.8-0.85 | 5 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |