Natural Product: NPC34429
Natural Product ID:   | NPC34429 |
Common Name*:   | LMXFTMYMHGYJEI-HLTSFMKQSA-N |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | LMXFTMYMHGYJEI-HLTSFMKQSA-N |
Standard InCHI:   | InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+/m1/s1 |
SMILES:   | C[C@@H]1CC[C@H]([C@H](C1)O)C(C)(C)O
|
Synthetic Gene Cluster:   |
n.a. |
ChEMBL Identifier:   |
n.a. |
PubChem CID:   |
9920491 |
Chemical Classification**:   |
-
CHEMONTID:0000000 [Organic compounds]
-
[CHEMONTID:0000012] Lipids and lipid-like molecules
-
[CHEMONTID:0000259] Prenol lipids
[CHEMONTID:0001549] Monoterpenoids[CHEMONTID:0001401] Menthane monoterpenoids
|
*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 |
NPO24176 |
Streptomyces fradiae |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
PMID[10757717] |
NPO23281 |
Aplysinella rhax |
Species |
Aplysinellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[10757728] |
NPO24219 |
Erylus nobilis |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
PMID[11421740] |
NPO24219 |
Erylus nobilis |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
PMID[11908993] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[11914965] |
NPO24364 |
Petrosia corticata |
Species |
Petrosiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[12350165] |
NPO24364 |
Petrosia corticata |
Species |
Petrosiidae |
Eukaryota |
n.a. |
Okinawan, Japan |
n.a. |
PMID[14695804] |
NPO24364 |
Petrosia corticata |
Species |
Petrosiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[15332859] |
NPO15538 |
Eucalyptus citriodora |
Species |
Myrtaceae |
Eukaryota |
Leaves |
the campus of Panjab University, Chandigarh, India |
|
PMID[16989303] |
NPO24364 |
Petrosia corticata |
Species |
Petrosiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17407351] |
NPO23281 |
Aplysinella rhax |
Species |
Aplysinellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[17827010] |
NPO20637 |
Piper acutifolium |
Species |
Piperaceae |
Eukaryota |
n.a. |
leaf |
n.a. |
PMID[18712933] |
NPO23924 |
Psilotum nudum |
Species |
Psilotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[20488581] |
NPO23499 |
Carpesium faberi |
Species |
Asteraceae |
Eukaryota |
whole plant |
Changshou County, Chongqing, China |
2008-Aug |
PMID[21109433] |
NPO4010 |
Flemingia philippinensis |
Species |
Fabaceae |
Eukaryota |
Roots |
n.a. |
n.a. |
PMID[24054487] |
NPO4010 |
Flemingia philippinensis |
Species |
Fabaceae |
Eukaryota |
roots |
n.a. |
n.a. |
PMID[24412339] |
NPO15538 |
Eucalyptus citriodora |
Species |
Myrtaceae |
Eukaryota |
Essential oil |
n.a. |
n.a. |
PMID[24641242] |
NPO24364 |
Petrosia corticata |
Species |
Petrosiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[25987373] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[27116034] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[29667821] |
NPO24364 |
Petrosia corticata |
Species |
Petrosiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
PMID[7807132] |
NPO22455 |
Corydalis sewerzowi |
Species |
Papaveraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO4010 |
Flemingia philippinensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO23924 |
Psilotum nudum |
Species |
Psilotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21625 |
Bidens tripartita |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[HerDing] |
NPO4010 |
Flemingia philippinensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO22455 |
Corydalis sewerzowi |
Species |
Papaveraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21625 |
Bidens tripartita |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO15538 |
Eucalyptus citriodora |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO23924 |
Psilotum nudum |
Species |
Psilotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCMID] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO4010 |
Flemingia philippinensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[TCM_Taiwan] |
NPO24090 |
Aplysilla rosea |
Species |
Darwinellidae |
Eukaryota |
n.a. |
Austrila |
n.a. |
Database[Title] |
NPO20998 |
Machaerium kuhlmannii |
Species |
Dolichopodidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24290 |
Claviceps microcephala |
Species |
Clavicipitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23884 |
Hippobroma longiflora |
Species |
Campanulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23459 |
Onoseris alata |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23499 |
Carpesium faberi |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23610 |
Aconitum tianschanicum |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21963 |
Hypericum japonicum |
Species |
Hypericaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22595 |
Trapa bicornis |
Species |
Lythraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23545 |
Vellozia streptophylla |
Species |
Velloziaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23792 |
Gomphostemma parviflorum |
Species |
Lamiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21827 |
Albatrellus caeruleoporus |
Species |
Albatrellaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23834 |
Chlamydomonas allensworthii |
Species |
Chlamydomonadaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24408 |
Ariocarpus fissuratus |
Species |
Cactaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23043 |
Cryptolestes pusillus |
Species |
Laemophloeidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO21625 |
Bidens tripartita |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23961 |
Scytonema ocellatum |
Species |
Scytonemataceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22324 |
Erium villosum |
Species |
Pseudococcidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO19535 |
Senecio zoellneri |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO738 |
Dahlstedtia pentaphylla |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22143 |
Genista sessilifolia |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO5782 |
Aniba rosaeodora |
Species |
Lauraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO20637 |
Piper acutifolium |
Species |
Piperaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24176 |
Streptomyces fradiae |
Species |
Streptomycetaceae |
Bacteria |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24048 |
Cladonia pityrea |
Species |
Cladoniaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23364 |
Lambertella corni |
Species |
Rutstroemiaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24132 |
Euphausia superba |
Species |
Euphausiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO16043 |
Centaurea musimomum |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO17737 |
Lepidorhinus squamosus |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO12429 |
Acicarpha tribuloides |
Species |
Calyceraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24249 |
Codonopsis cordifolioidea |
Species |
Campanulaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO4010 |
Flemingia philippinensis |
Species |
Fabaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23211 |
Xyris indica |
Species |
Xyridaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23281 |
Aplysinella rhax |
Species |
Aplysinellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23739 |
Staehelina fruticosa |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24364 |
Petrosia corticata |
Species |
Petrosiidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24090 |
Aplysilla rosea |
Species |
Darwinellidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23114 |
Cacalia robusta |
Species |
Asteraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23696 |
Solanum diflorum |
Species |
Solanaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23413 |
Crematogaster africana |
Species |
Formicidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24219 |
Erylus nobilis |
Species |
n.a. |
n.a. |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO15538 |
Eucalyptus citriodora |
Species |
Myrtaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO22455 |
Corydalis sewerzowi |
Species |
Papaveraceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23924 |
Psilotum nudum |
Species |
Psilotaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO13127 |
Vallaris heynei |
Species |
Apocynaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24445 |
Arbacia pustulosa |
Species |
Arbaciidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23318 |
Aconitum palmatum |
Species |
Ranunculaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO8593 |
Zygosaccharomyces rouxii |
Species |
Saccharomycetaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO24005 |
Mytilus galloprovincialis |
Species |
Mytilidae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO23920 |
Amanita pseudoporphyria |
Species |
Amanitaceae |
Eukaryota |
n.a. |
n.a. |
n.a. |
Database[UNPD] |
NPO18976 |
Centaurea arbutifolia |
Species |
Asteraceae |
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 NPC34429 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 | 346 |
0.1-0.2 | 5019 |
0.2-0.3 | 18392 |
0.3-0.4 | 9658 |
0.4-0.5 | 7024 |
0.5-0.6 | 1928 |
0.6-0.7 | 283 |
0.7-0.8 | 34 |
0.8-0.85 | 6 |
0.85-0.9 | 1 |
0.9-0.95 | 6 |
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 NPC34429 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range |
Tanimoto Coefficient |
0-0.1 | 462 |
0.1-0.2 | 4609 |
0.2-0.3 | 2856 |
0.3-0.4 | 783 |
0.4-0.5 | 356 |
0.5-0.6 | 72 |
0.6-0.7 | 7 |
0.7-0.8 | 3 |
0.8-0.85 | 0 |
0.85-0.9 | 0 |
0.9-0.95 | 2 |
0.95-1 | 0 |
Similarity Score |
Similarity Level |
Drug ID |
Developmental Stage |