Natural Product: NPC300250
Natural Product ID:   | NPC300250 |
Common Name*:   | SLKPBCXNFNIJSV-OAHLLOKOSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | SLKPBCXNFNIJSV-OAHLLOKOSA-N |
Standard InCHI:   | InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m1/s1 |
SMILES:   | Cc1ccc(cc1)[C@@]1(C)CCCC1(C)C
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
11084908 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001550] Sesquiterpenoids
|
*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 |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[11374978] |
NPO21891 |
Panax notoginseng |
Species |
Araliaceae |
Eukaryota |
Flower buds |
n.a. |
n.a. |
PMID[12880307] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15679317] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[16562834] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
roots |
purchased from Kiu Shun Trading Ltd., Vancouver, Canada |
2000 |
PMID[16643021] |
NPO21891 |
Panax notoginseng |
Species |
Araliaceae |
Eukaryota |
Stems |
n.a. |
n.a. |
PMID[17663584] |
NPO16755 |
Saposhnikovia divaricata |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17703773] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
root |
n.a. |
PMID[17997069] |
NPO21891 |
Panax notoginseng |
Species |
Araliaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[18186611] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20121251] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20476749] |
NPO25682 |
Acorus calamus |
Species |
Acoraceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[21563811] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[21936523] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[21936523] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[22612410] |
NPO25682 |
Acorus calamus |
Species |
Acoraceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[22671987] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[22951040] |
NPO25682 |
Acorus calamus |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[23373216] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
rhizome |
n.a. |
PMID[23713285] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
fruit |
n.a. |
PMID[24155209] |
NPO8874 |
Glehnia littoralis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24813739] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[24959987] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25302569] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25538068] |
NPO21891 |
Panax notoginseng |
Species |
Araliaceae |
Eukaryota |
Steamed Roots |
n.a. |
n.a. |
PMID[26200131] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
rhizomes |
n.a. |
n.a. |
PMID[26296476] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[26305406] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27400088] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[29116780] |
NPO8367 |
Fructus schiandrae |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16755 |
Saposhnikovia divaricata |
Species |
Apiaceae |
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] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO25682 |
Acorus calamus |
Species |
Acoraceae |
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] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO8874 |
Glehnia littoralis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO16755 |
Saposhnikovia divaricata |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8874 |
Glehnia littoralis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8367 |
Fructus schiandrae |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
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] |
NPO25682 |
Acorus calamus |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8874 |
Glehnia littoralis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21891 |
Panax notoginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO25682 |
Acorus calamus |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO5681 |
Acorus gramineus |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO8874 |
Glehnia littoralis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO16755 |
Saposhnikovia divaricata |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO21891 |
Panax notoginseng |
Species |
Araliaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TM-MC] |
NPO11438 |
Angelica gigas |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8187 |
Schisandra chinensis |
Species |
Schisandraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2921 |
Angelica acutiloba |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO25682 |
Acorus calamus |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12088 |
Conyza canadensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8874 |
Glehnia littoralis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8666 |
Acorus tatarinowii |
Species |
Acoraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15462 |
Angelica sinensis |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21891 |
Panax notoginseng |
Species |
Araliaceae |
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 NPC300250 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 | 792 |
0.1-0.2 | 2280 |
0.2-0.3 | 11870 |
0.3-0.4 | 20274 |
0.4-0.5 | 6127 |
0.5-0.6 | 1037 |
0.6-0.7 | 225 |
0.7-0.8 | 71 |
0.8-0.85 | 15 |
0.85-0.9 | 5 |
0.9-0.95 | 1 |
0.95-1 | 0 |
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 NPC300250 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 661 |
0.1-0.2 | 859 |
0.2-0.3 | 2501 |
0.3-0.4 | 3360 |
0.4-0.5 | 1251 |
0.5-0.6 | 404 |
0.6-0.7 | 105 |
0.7-0.8 | 9 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 0 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |