Natural Product: NPC215507

Natural Product ID:  NPC215507
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C23H29NO6
Standard InCHIKey:  SKYPPFSYUDCEQR-IGDIMQITSA-N
Standard InCHI:  InChI=1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3/t12-,16-,17-,22+,23+/m0/s1
Canonical SMILES:  COC1=C(C)C(=O)O[C@@]21C(=O)C(=C1[C@@]32CC[C@H](N3CCCC1)[C@@H]1C[C@@H](C(=O)O1)C)C
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
NPO29600 Stemonae radix NA NA NA TCMSP*
NPO28230 Stemona japonica Species Stemonaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5804.8 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 20587.8 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 4147.5 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 2238.7 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 NPC215507 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
0.7891 Intermediate Similarity NPC11379
0.7891 Intermediate Similarity NPC230849
0.7744 Intermediate Similarity NPC173173
0.7597 Intermediate Similarity NPC174463
0.7132 Intermediate Similarity NPC469999
0.7122 Intermediate Similarity NPC307165
0.7045 Intermediate Similarity NPC241294
0.7045 Intermediate Similarity NPC202722
0.7045 Intermediate Similarity NPC471846
0.7045 Intermediate Similarity NPC471845
0.7045 Intermediate Similarity NPC39041
0.6978 Remote Similarity NPC471086
0.6912 Remote Similarity NPC23963
0.6901 Remote Similarity NPC133089
0.6889 Remote Similarity NPC138534
0.6889 Remote Similarity NPC477986
0.6884 Remote Similarity NPC477985
0.6884 Remote Similarity NPC326386
0.6884 Remote Similarity NPC471087
0.6835 Remote Similarity NPC329401
0.6835 Remote Similarity NPC474371
0.6835 Remote Similarity NPC477987
0.6828 Remote Similarity NPC45813
0.6818 Remote Similarity NPC43648
0.6692 Remote Similarity NPC271562
0.6691 Remote Similarity NPC201889
0.6691 Remote Similarity NPC323168
0.6691 Remote Similarity NPC477989
0.6691 Remote Similarity NPC477990
0.6691 Remote Similarity NPC111162
0.6691 Remote Similarity NPC106791
0.6691 Remote Similarity NPC293550
0.6643 Remote Similarity NPC477988
0.6642 Remote Similarity NPC130124
0.6642 Remote Similarity NPC193471
0.6618 Remote Similarity NPC65045
0.6618 Remote Similarity NPC469997
0.6617 Remote Similarity NPC30911
0.6617 Remote Similarity NPC316984
0.6617 Remote Similarity NPC58281
0.6589 Remote Similarity NPC265094
0.6569 Remote Similarity NPC235625
0.6538 Remote Similarity NPC64168
0.6462 Remote Similarity NPC6271
0.6462 Remote Similarity NPC279833
0.6462 Remote Similarity NPC173690
0.6462 Remote Similarity NPC80439
0.6449 Remote Similarity NPC284656
0.6429 Remote Similarity NPC470000
0.6387 Remote Similarity NPC185590
0.6387 Remote Similarity NPC15440
0.6387 Remote Similarity NPC264958
0.6378 Remote Similarity NPC471843
0.637 Remote Similarity NPC181510
0.637 Remote Similarity NPC47857
0.637 Remote Similarity NPC120335
0.637 Remote Similarity NPC168758
0.6364 Remote Similarity NPC471844
0.6345 Remote Similarity NPC470539
0.6319 Remote Similarity NPC476951
0.6288 Remote Similarity NPC133420
0.6241 Remote Similarity NPC93179
0.6214 Remote Similarity NPC200412
0.6214 Remote Similarity NPC120599
0.6214 Remote Similarity NPC156336
0.6187 Remote Similarity NPC470538
0.6174 Remote Similarity NPC313348
0.6174 Remote Similarity NPC475987
0.6165 Remote Similarity NPC44514
0.6148 Remote Similarity NPC470535
0.6136 Remote Similarity NPC287638
0.6136 Remote Similarity NPC194750
0.6136 Remote Similarity NPC233274
0.6134 Remote Similarity NPC216090
0.6133 Remote Similarity NPC239252
0.6133 Remote Similarity NPC473703
0.6125 Remote Similarity NPC12124
0.6125 Remote Similarity NPC44200
0.6103 Remote Similarity NPC470536
0.6099 Remote Similarity NPC96731
0.6087 Remote Similarity NPC469466
0.6077 Remote Similarity NPC476344
0.6076 Remote Similarity NPC266697
0.6058 Remote Similarity NPC196073
0.6058 Remote Similarity NPC195435
0.6047 Remote Similarity NPC150041
0.6045 Remote Similarity NPC87919
0.6043 Remote Similarity NPC469597
0.6027 Remote Similarity NPC309525
0.6014 Remote Similarity NPC147635
0.6014 Remote Similarity NPC163693
0.5974 Remote Similarity NPC473955
0.5974 Remote Similarity NPC25025
0.5971 Remote Similarity NPC474497
0.5971 Remote Similarity NPC275100
0.5956 Remote Similarity NPC176773
0.5951 Remote Similarity NPC475342
0.5946 Remote Similarity NPC478136
0.594 Remote Similarity NPC474348
0.5933 Remote Similarity NPC315011
0.592 Remote Similarity NPC130436
0.592 Remote Similarity NPC469861
0.592 Remote Similarity NPC469860
0.5906 Remote Similarity NPC97861
0.5903 Remote Similarity NPC88190
0.5899 Remote Similarity NPC474411
0.5899 Remote Similarity NPC474431
0.589 Remote Similarity NPC42747
0.589 Remote Similarity NPC186339
0.5874 Remote Similarity NPC476952
0.584 Remote Similarity NPC78089
0.5839 Remote Similarity NPC26617
0.5833 Remote Similarity NPC472167
0.5828 Remote Similarity NPC161644
0.5827 Remote Similarity NPC470529
0.5827 Remote Similarity NPC470532
0.5827 Remote Similarity NPC470530
0.5827 Remote Similarity NPC469631
0.5827 Remote Similarity NPC469628
0.5827 Remote Similarity NPC471047
0.5827 Remote Similarity NPC470533
0.5827 Remote Similarity NPC469603
0.5827 Remote Similarity NPC475906
0.5827 Remote Similarity NPC470527
0.5827 Remote Similarity NPC469653
0.5827 Remote Similarity NPC470528
0.5827 Remote Similarity NPC470531
0.5822 Remote Similarity NPC192309
0.5821 Remote Similarity NPC128733
0.5821 Remote Similarity NPC110443
0.5821 Remote Similarity NPC133907
0.5821 Remote Similarity NPC46998
0.5821 Remote Similarity NPC188785
0.5821 Remote Similarity NPC185141
0.58 Remote Similarity NPC13071
0.5794 Remote Similarity NPC38576
0.5794 Remote Similarity NPC107787
0.5794 Remote Similarity NPC279859
0.5789 Remote Similarity NPC54843
0.5786 Remote Similarity NPC470534
0.5782 Remote Similarity NPC1538
0.5779 Remote Similarity NPC243902
0.5778 Remote Similarity NPC473289
0.5778 Remote Similarity NPC86077
0.5772 Remote Similarity NPC280903
0.5764 Remote Similarity NPC471673
0.5764 Remote Similarity NPC471109
0.5758 Remote Similarity NPC172998
0.5758 Remote Similarity NPC299396
0.5758 Remote Similarity NPC301596
0.5755 Remote Similarity NPC38154
0.5745 Remote Similarity NPC276995
0.5745 Remote Similarity NPC76660
0.5743 Remote Similarity NPC144625
0.5743 Remote Similarity NPC321197
0.5733 Remote Similarity NPC172823
0.5725 Remote Similarity NPC121825
0.5714 Remote Similarity NPC472162
0.5704 Remote Similarity NPC474742
0.5694 Remote Similarity NPC147707
0.5694 Remote Similarity NPC475323
0.5692 Remote Similarity NPC118844
0.5692 Remote Similarity NPC110875
0.5692 Remote Similarity NPC299808
0.5692 Remote Similarity NPC72183
0.5691 Remote Similarity NPC69271
0.5691 Remote Similarity NPC74673
0.5683 Remote Similarity NPC474099
0.5682 Remote Similarity NPC273197
0.5682 Remote Similarity NPC224689
0.5682 Remote Similarity NPC234339
0.568 Remote Similarity NPC475947
0.5676 Remote Similarity NPC316133
0.5676 Remote Similarity NPC318445
0.5667 Remote Similarity NPC317654
0.5667 Remote Similarity NPC11732
0.5667 Remote Similarity NPC470537
0.5667 Remote Similarity NPC96010
0.5659 Remote Similarity NPC32922
0.5658 Remote Similarity NPC478139
0.5658 Remote Similarity NPC469351
0.5649 Remote Similarity NPC469645
0.5649 Remote Similarity NPC120420
0.5649 Remote Similarity NPC469692
0.5643 Remote Similarity NPC101018
0.5635 Remote Similarity NPC115786
0.5633 Remote Similarity NPC281104
0.5625 Remote Similarity NPC52533
0.5625 Remote Similarity NPC30196
0.5621 Remote Similarity NPC316401
0.5621 Remote Similarity NPC90814
0.5621 Remote Similarity NPC189393
0.562 Remote Similarity NPC475945
0.562 Remote Similarity NPC199831
0.562 Remote Similarity NPC474828
0.562 Remote Similarity NPC475871
0.562 Remote Similarity NPC68001
0.562 Remote Similarity NPC474827
0.5615 Remote Similarity NPC476019
0.5615 Remote Similarity NPC159568

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC215507 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
0.6617 Remote Similarity NPD2204 Approved
0.6154 Remote Similarity NPD8080 Discontinued
0.6084 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5933 Remote Similarity NPD2101 Approved
0.5929 Remote Similarity NPD1376 Discontinued
0.5839 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5804 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5789 Remote Similarity NPD6845 Suspended
0.5733 Remote Similarity NPD8337 Approved
0.5733 Remote Similarity NPD8336 Approved
0.5724 Remote Similarity NPD2132 Phase 3
0.5676 Remote Similarity NPD7642 Approved
0.5633 Remote Similarity NPD2569 Approved
0.5633 Remote Similarity NPD2567 Approved
0.5613 Remote Similarity NPD8415 Approved

Structure

External Identifiers

PubChem CID   6426911
ChEMBL   CHEMBL1394235
ZINC  

Physicochemical Properties

Molecular Weight:  415.20
ALogP:  0.0468
MLogP:  3.22
XLogP:  0.956
# Rotatable Bonds:  6
Polar Surface Area:  82.14
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  30

Download Data

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