Natural Product: NPC200129

Natural Product ID:  NPC200129
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H24
Standard InCHIKey:  CQUAYTJDLQBXCQ-NHYWBVRUSA-N
Standard InCHI:  InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1
Canonical SMILES:  CC1(C)[C@H]2CC[C@@]3(C1=CCCC3(C)C)C2
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO29613 Cyperi rhizoma NA NA NA TCMSP*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO12536 Flemingia prostrata roxb Species Fabaceae Eukaryota TCMSP*
NPO14121 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO25682 Acorus calamus Species Acoraceae Eukaryota TM-MC*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TM-MC*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TM-MC*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO21072 Rhododendron dauricum Species Ericaceae Eukaryota TM-MC*
NPO9721 Radix moghaniae philippinensis Species Lymnaeidae Eukaryota TCMID*
NPO17333 Valeriana officinalis Species Caprifoliaceae Eukaryota TCMID*
NPO24373 Lobelia inflata Species Campanulaceae Eukaryota TCMID*
NPO13515 Succinus NA NA NA TCMID*
NPO2715.1 Murraya paniculata var. exotica Varieties Rutaceae Eukaryota TCMID*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 43641.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48966.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43277.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34665.4 nM PubChem BioAssay data set

  Similar Natural Products 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 NPC200129 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
0.8298 Intermediate Similarity NPC227670
0.8298 Intermediate Similarity NPC141777
0.8298 Intermediate Similarity NPC166362
0.8 Intermediate Similarity NPC178644
0.7963 Intermediate Similarity NPC123194
0.7959 Intermediate Similarity NPC241784
0.7959 Intermediate Similarity NPC229403
0.7959 Intermediate Similarity NPC86683
0.7959 Intermediate Similarity NPC13991
0.7959 Intermediate Similarity NPC296337
0.7959 Intermediate Similarity NPC49088
0.7959 Intermediate Similarity NPC114239
0.7917 Intermediate Similarity NPC192529
0.7857 Intermediate Similarity NPC469769
0.7843 Intermediate Similarity NPC17518
0.78 Intermediate Similarity NPC323445
0.7755 Intermediate Similarity NPC202189
0.7755 Intermediate Similarity NPC248411
0.7647 Intermediate Similarity NPC124851
0.7551 Intermediate Similarity NPC474118
0.7551 Intermediate Similarity NPC51762
0.7541 Intermediate Similarity NPC176171
0.75 Intermediate Similarity NPC22765
0.7347 Intermediate Similarity NPC190232
0.7347 Intermediate Similarity NPC473912
0.7347 Intermediate Similarity NPC105246
0.7321 Intermediate Similarity NPC470893
0.7288 Intermediate Similarity NPC234264
0.7288 Intermediate Similarity NPC47840
0.7234 Intermediate Similarity NPC139717
0.7234 Intermediate Similarity NPC297643
0.7234 Intermediate Similarity NPC229262
0.7222 Intermediate Similarity NPC471681
0.7213 Intermediate Similarity NPC475704
0.7143 Intermediate Similarity NPC473614
0.7119 Intermediate Similarity NPC309825
0.7049 Intermediate Similarity NPC124112
0.7049 Intermediate Similarity NPC474086
0.7021 Intermediate Similarity NPC190810
0.7021 Intermediate Similarity NPC34764
0.7021 Intermediate Similarity NPC76145
0.7018 Intermediate Similarity NPC469770
0.7 Intermediate Similarity NPC135648
0.7 Intermediate Similarity NPC177470
0.7 Intermediate Similarity NPC193180
0.6984 Remote Similarity NPC135650
0.6984 Remote Similarity NPC92327
0.6964 Remote Similarity NPC127944
0.6939 Remote Similarity NPC246165
0.6885 Remote Similarity NPC213152
0.6875 Remote Similarity NPC176107
0.6863 Remote Similarity NPC23145
0.6863 Remote Similarity NPC109813
0.6863 Remote Similarity NPC86538
0.6863 Remote Similarity NPC90803
0.6863 Remote Similarity NPC60556
0.6863 Remote Similarity NPC90506
0.68 Remote Similarity NPC103290
0.68 Remote Similarity NPC144023
0.6786 Remote Similarity NPC473728
0.678 Remote Similarity NPC475696
0.678 Remote Similarity NPC474528
0.678 Remote Similarity NPC474415
0.6774 Remote Similarity NPC165695
0.6774 Remote Similarity NPC472306
0.6769 Remote Similarity NPC20610
0.6721 Remote Similarity NPC270042
0.6667 Remote Similarity NPC182815
0.6667 Remote Similarity NPC212210
0.6613 Remote Similarity NPC147524
0.66 Remote Similarity NPC227632
0.66 Remote Similarity NPC62086
0.66 Remote Similarity NPC78551
0.66 Remote Similarity NPC183670
0.6567 Remote Similarity NPC475728
0.6567 Remote Similarity NPC35734
0.6567 Remote Similarity NPC282593
0.6567 Remote Similarity NPC307176
0.6567 Remote Similarity NPC159577
0.6557 Remote Similarity NPC475716
0.6557 Remote Similarity NPC474454
0.6557 Remote Similarity NPC474455
0.6557 Remote Similarity NPC474420
0.6552 Remote Similarity NPC5626
0.6545 Remote Similarity NPC17810
0.6531 Remote Similarity NPC239039
0.6515 Remote Similarity NPC160209
0.65 Remote Similarity NPC267626
0.65 Remote Similarity NPC474457
0.65 Remote Similarity NPC55004
0.65 Remote Similarity NPC49575
0.6471 Remote Similarity NPC21773
0.6471 Remote Similarity NPC470078
0.6471 Remote Similarity NPC5701
0.6471 Remote Similarity NPC304983
0.6471 Remote Similarity NPC115023
0.6462 Remote Similarity NPC323005
0.6418 Remote Similarity NPC139397
0.6393 Remote Similarity NPC472830
0.6379 Remote Similarity NPC14002
0.6379 Remote Similarity NPC23117
0.6377 Remote Similarity NPC470045
0.6377 Remote Similarity NPC303613
0.6377 Remote Similarity NPC474228
0.6377 Remote Similarity NPC251705
0.6377 Remote Similarity NPC470044
0.6377 Remote Similarity NPC474140
0.6364 Remote Similarity NPC475523
0.6349 Remote Similarity NPC469728
0.6349 Remote Similarity NPC219621
0.6338 Remote Similarity NPC7214
0.6324 Remote Similarity NPC2634
0.6324 Remote Similarity NPC265782
0.6324 Remote Similarity NPC214770
0.6324 Remote Similarity NPC477856
0.6324 Remote Similarity NPC260040
0.6324 Remote Similarity NPC251929
0.629 Remote Similarity NPC472827
0.629 Remote Similarity NPC5698
0.6286 Remote Similarity NPC255021
0.6286 Remote Similarity NPC476904
0.6232 Remote Similarity NPC265789
0.6232 Remote Similarity NPC54123
0.6232 Remote Similarity NPC234707
0.6232 Remote Similarity NPC305501
0.623 Remote Similarity NPC11130
0.623 Remote Similarity NPC230823
0.623 Remote Similarity NPC470370
0.623 Remote Similarity NPC470369
0.6212 Remote Similarity NPC162309
0.6207 Remote Similarity NPC179169
0.6207 Remote Similarity NPC181255
0.6207 Remote Similarity NPC35519
0.6207 Remote Similarity NPC306195
0.6207 Remote Similarity NPC157781
0.62 Remote Similarity NPC45727
0.62 Remote Similarity NPC48638
0.6197 Remote Similarity NPC22105
0.6197 Remote Similarity NPC293803
0.6197 Remote Similarity NPC471468
0.6197 Remote Similarity NPC141071
0.6197 Remote Similarity NPC313185
0.6197 Remote Similarity NPC125828
0.6197 Remote Similarity NPC288035
0.6197 Remote Similarity NPC471723
0.6197 Remote Similarity NPC230301
0.6197 Remote Similarity NPC304309
0.6197 Remote Similarity NPC162742
0.6197 Remote Similarity NPC28657
0.6197 Remote Similarity NPC134847
0.6197 Remote Similarity NPC257347
0.6197 Remote Similarity NPC285893
0.6197 Remote Similarity NPC136188
0.619 Remote Similarity NPC252809
0.619 Remote Similarity NPC323153
0.619 Remote Similarity NPC25853
0.619 Remote Similarity NPC176621
0.619 Remote Similarity NPC311809
0.619 Remote Similarity NPC127582
0.617 Remote Similarity NPC213749
0.6164 Remote Similarity NPC228911
0.6154 Remote Similarity NPC285371
0.6154 Remote Similarity NPC218918
0.6154 Remote Similarity NPC120926
0.6154 Remote Similarity NPC475124
0.6154 Remote Similarity NPC6697
0.6154 Remote Similarity NPC469662
0.6129 Remote Similarity NPC308108
0.6129 Remote Similarity NPC94991
0.6129 Remote Similarity NPC30215
0.6129 Remote Similarity NPC170799
0.6129 Remote Similarity NPC266295
0.6129 Remote Similarity NPC60772
0.6122 Remote Similarity NPC92224
0.6119 Remote Similarity NPC308522
0.6119 Remote Similarity NPC74885
0.6111 Remote Similarity NPC113733
0.6111 Remote Similarity NPC240604
0.6111 Remote Similarity NPC46160
0.6111 Remote Similarity NPC470362
0.6111 Remote Similarity NPC107059
0.6111 Remote Similarity NPC300324
0.6111 Remote Similarity NPC321016
0.6111 Remote Similarity NPC202642
0.6111 Remote Similarity NPC189883
0.6111 Remote Similarity NPC474463
0.6111 Remote Similarity NPC321381
0.6111 Remote Similarity NPC69408
0.6111 Remote Similarity NPC244488
0.6111 Remote Similarity NPC247325
0.6111 Remote Similarity NPC134330
0.6111 Remote Similarity NPC129165
0.6102 Remote Similarity NPC295777
0.6102 Remote Similarity NPC69898
0.6102 Remote Similarity NPC476679
0.6094 Remote Similarity NPC60565
0.6087 Remote Similarity NPC40574
0.6066 Remote Similarity NPC179024
0.6061 Remote Similarity NPC163678
0.6056 Remote Similarity NPC309852

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC200129 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
0.7347 Intermediate Similarity NPD1799 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD319 Phase 1
0.6567 Remote Similarity NPD6939 Phase 2
0.6567 Remote Similarity NPD4747 Approved
0.6567 Remote Similarity NPD6938 Clinical (unspecified phase)
0.6545 Remote Similarity NPD8262 Approved
0.6515 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4243 Approved
0.6418 Remote Similarity NPD4137 Phase 3
0.6324 Remote Similarity NPD4691 Approved
0.6286 Remote Similarity NPD5733 Approved
0.6286 Remote Similarity NPD4687 Approved
0.6286 Remote Similarity NPD4785 Approved
0.6286 Remote Similarity NPD4784 Approved
0.6232 Remote Similarity NPD5276 Approved
0.6197 Remote Similarity NPD6942 Approved
0.6197 Remote Similarity NPD4190 Phase 3
0.6197 Remote Similarity NPD5275 Approved
0.6197 Remote Similarity NPD7339 Approved
0.6129 Remote Similarity NPD287 Approved
0.6056 Remote Similarity NPD4058 Approved
0.5942 Remote Similarity NPD6922 Approved
0.5942 Remote Similarity NPD6923 Approved
0.589 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5867 Remote Similarity NPD4195 Approved
0.5857 Remote Similarity NPD7143 Approved
0.5857 Remote Similarity NPD7144 Approved
0.5806 Remote Similarity NPD4219 Approved
0.5775 Remote Similarity NPD7150 Approved
0.5775 Remote Similarity NPD7152 Approved
0.5775 Remote Similarity NPD7151 Approved
0.5641 Remote Similarity NPD4221 Approved
0.5641 Remote Similarity NPD4223 Phase 3
0.5616 Remote Similarity NPD6926 Approved
0.5616 Remote Similarity NPD6924 Approved

Structure

External Identifiers

PubChem CID   11127402
ChEMBL   CHEMBL3183415
ZINC  

Physicochemical Properties

Molecular Weight:  204.19
ALogP:  2.3819
MLogP:  3.11
XLogP:  6.198
# Rotatable Bonds:  4
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  15

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs