Natural Product: NPC146795
Natural Product ID:   | NPC146795 |
Common Name*:   | KGCIBVDLLPYXFL-OFVWMMNVSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | KGCIBVDLLPYXFL-OFVWMMNVSA-N |
Standard InCHI:   | InChI=1S/C26H29N3O5/c1-22(2)10-8-14-16(34-22)7-6-15-18(14)29(33)20(31)25(15)13-26-17(23(25,3)4)12-24(19(30)27-26)9-5-11-28(24)21(26)32/h6-8,10,17,33H,5,9,11-13H2,1-4H3,(H,27,30)/t17-,24-,25+,26-/m0/s1 |
SMILES:   | CC1(C)C=Cc2c(ccc3c2N(C(=O)[C@]23C[C@]34[C@@H](C[C@@]5(CCCN5C3=O)C(=N4)O)C2(C)C)O)O1
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
16128040 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000002] Organoheterocyclic compounds
-
[CHEMONTID:0000123] Benzopyrans
[CHEMONTID:0003410] 1-benzopyrans[CHEMONTID:0003522] 2,2-dimethyl-1-benzopyrans
|
*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 |
NPO21005 |
Baphia nitida |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
DOI[10.1016/0031-9422(92)80059-N] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
xylem |
n.a. |
DOI[10.1016/S0040-4039(00)86970-1] |
NPO4343 |
Guanomyces polythrix |
Species |
n.a. |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10869195] |
NPO17256 |
Kobresia nepalensis |
Species |
Cyperaceae |
Eukaryota |
n.a. |
stem |
n.a. |
PMID[16508191] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17340534] |
NPO19192 |
Sinocalamus affinis |
Species |
n.a. |
n.a. |
skin-removed stems |
Pingle Town, Sichuang Province, China |
2008-AUG |
PMID[21469695] |
NPO19192 |
Sinocalamus affinis |
Species |
n.a. |
n.a. |
n.a. |
stem |
n.a. |
PMID[21469695] |
NPO19192 |
Sinocalamus affinis |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
PMID[22690646] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
aerial part |
n.a. |
PMID[23397723] |
NPO20739 |
Jungermannia hyalina |
Species |
Jungermanniaceae |
Eukaryota |
n.a. |
Guangxi Zhuang Autonomous Region, China |
n.a. |
PMID[25856683] |
NPO21618 |
Ircinia oros |
Species |
Irciniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[28840725] |
NPO21679 |
Nuphar lutea |
Species |
Nymphaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31182315] |
NPO20212 |
Callistemon viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[31276403] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
Fruits |
n.a. |
n.a. |
PMID[3760884] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6736970] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6875576] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
xylem |
n.a. |
PMID[6875577] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[6875577] |
NPO20671 |
Selliguea feei |
Species |
Polypodiaceae |
Eukaryota |
Rhizomes |
n.a. |
n.a. |
PMID[8254348] |
NPO21679 |
Nuphar lutea |
Species |
Nymphaeaceae |
Eukaryota |
|
n.a. |
n.a. |
Database[FooDB] |
NPO8650.1 |
Perilla frutescens var. arguta |
Varieties |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19488 |
Trifolium subterraneum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO19017 |
Prangos pabularia |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO11966 |
Euphorbia kamerunica |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8678 |
Trillium camschatcense |
Species |
Melanthiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO8650.1 |
Perilla frutescens var. arguta |
Varieties |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19017 |
Prangos pabularia |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19488 |
Trifolium subterraneum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO17256 |
Kobresia nepalensis |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21679 |
Nuphar lutea |
Species |
Nymphaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO19017 |
Prangos pabularia |
Species |
Apiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO21618 |
Ircinia oros |
Species |
Irciniidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16907 |
Pentzia incana |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3237 |
Mytilus edulis |
Species |
Mytilidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4343 |
Guanomyces polythrix |
Species |
n.a. |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20212 |
Callistemon viminalis |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14136 |
Acherontia atropus |
Species |
Sphingidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15216 |
Encephalartos altensteinii |
Species |
Zamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16454 |
Crinum erubescens |
Species |
Amaryllidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18620 |
Grindelia acutifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14330 |
Agave aurea |
Species |
Asparagaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16044 |
Cupressus lawsoniana |
Species |
Cupressaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20612 |
Ursinia abrotanifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11966 |
Euphorbia kamerunica |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20408 |
Ajuga spectabilis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19488 |
Trifolium subterraneum |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20739 |
Jungermannia hyalina |
Species |
Jungermanniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19773 |
Xenorhabdus bovienii |
Species |
Morganellaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13260 |
Eria foetida |
Species |
Orchidaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20872 |
Melampodium heterophyllum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21550 |
Achillea macrophylla |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21005 |
Baphia nitida |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22510 |
Eupatorium havanense |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20340 |
Pausinystalia mayumbensis |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8678 |
Trillium camschatcense |
Species |
Melanthiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20546 |
Cissus pallidiflorus |
Species |
Vitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17256 |
Kobresia nepalensis |
Species |
Cyperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21426 |
Alstroemeria revoluta |
Species |
Alstroemeriaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO14466 |
Penicillium olsonii |
Species |
Aspergillaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21289 |
Teucrium oxylepis |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21231 |
Astragalus tragacantha |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18096 |
Excoecaria oppositifolia |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21486 |
Marrubium alysson |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO26840 |
Litsea aciculata |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19622 |
Euphorbia marginata |
Species |
Euphorbiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19901 |
Emilia sonchifolia |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20931 |
Simaba multiflora |
Species |
Simaroubaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21088 |
Litsea pulchella |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19192 |
Sinocalamus affinis |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20671 |
Selliguea feei |
Species |
Polypodiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8650.1 |
Perilla frutescens var. arguta |
Varieties |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20813 |
Myrmica sabuleti |
Species |
Formicidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO2854 |
Gymnosporia senegalensis |
Species |
Celastraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21365 |
Ligularia muliensis |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20051 |
Gardenia collinsae |
Species |
Rubiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21679 |
Nuphar lutea |
Species |
Nymphaeaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17515 |
Pronephrium triphyllum |
Species |
Thelypteridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO3777 |
Stevia chamaedrys |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19986 |
Crataegus davisii |
Species |
Rosaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO11622.1 |
Shuteria involucrata var. vestita |
Varieties |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19017 |
Prangos pabularia |
Species |
Apiaceae |
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 NPC146795 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 | 430 |
0.1-0.2 | 1905 |
0.2-0.3 | 8542 |
0.3-0.4 | 9797 |
0.4-0.5 | 16657 |
0.5-0.6 | 4651 |
0.6-0.7 | 646 |
0.7-0.8 | 47 |
0.8-0.85 | 12 |
0.85-0.9 | 7 |
0.9-0.95 | 3 |
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 NPC146795 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 241 |
0.1-0.2 | 594 |
0.2-0.3 | 881 |
0.3-0.4 | 1883 |
0.4-0.5 | 3291 |
0.5-0.6 | 2053 |
0.6-0.7 | 204 |
0.7-0.8 | 3 |
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 |