Natural Product: NPC307165

Natural Product ID:  NPC307165
Common Name:   n.a.
IUPAC Name:  
Synonyms:   9A-O-Methylstemoenonine
Molecular Formula:   C23H29NO7
Standard InCHIKey:  AYAJDGKYRMESJM-SBBDGTHUSA-N
Standard InCHI:  InChI=1S/C23H29NO7/c1-5-14-19-16(30-22(14)11-13(3)21(27)31-22)7-6-8-24-15(10-18(25)23(19,24)28-4)17-9-12(2)20(26)29-17/h10-12,14,16-17,19H,5-9H2,1-4H3/t12-,14-,16+,17-,19-,22-,23+/m0/s1
Canonical SMILES:  CC[C@H]1[C@H]2[C@H](O[C@@]31C=C(C(=O)O3)C)CCCN1[C@@]2(OC)C(=O)C=C1[C@@H]1C[C@@H](C(=O)O1)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
NPO19620 Stemona tuberosa Species Stemonaceae Eukaryota roots PMID[18452334]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT938 Organism Cavia porcellus Cavia porcellus Inhibition = 10 % 8778240

  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 NPC307165 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
0.9672 High Similarity NPC133089
0.8306 Intermediate Similarity NPC174463
0.7752 Intermediate Similarity NPC230849
0.754 Intermediate Similarity NPC58281
0.7353 Intermediate Similarity NPC173173
0.7122 Intermediate Similarity NPC215507
0.709 Intermediate Similarity NPC11379
0.7087 Intermediate Similarity NPC271562
0.7007 Intermediate Similarity NPC469999
0.694 Remote Similarity NPC235625
0.6818 Remote Similarity NPC43648
0.6788 Remote Similarity NPC23963
0.6767 Remote Similarity NPC130124
0.6767 Remote Similarity NPC193471
0.6714 Remote Similarity NPC329401
0.6714 Remote Similarity NPC477987
0.6691 Remote Similarity NPC201889
0.6691 Remote Similarity NPC106791
0.6618 Remote Similarity NPC469997
0.6618 Remote Similarity NPC65045
0.6589 Remote Similarity NPC265094
0.6569 Remote Similarity NPC284656
0.656 Remote Similarity NPC150041
0.6528 Remote Similarity NPC477988
0.6525 Remote Similarity NPC477985
0.6525 Remote Similarity NPC326386
0.6525 Remote Similarity NPC471087
0.6522 Remote Similarity NPC477986
0.6522 Remote Similarity NPC138534
0.6493 Remote Similarity NPC181510
0.6493 Remote Similarity NPC168758
0.6493 Remote Similarity NPC316984
0.6493 Remote Similarity NPC47857
0.6493 Remote Similarity NPC30911
0.6457 Remote Similarity NPC476344
0.6429 Remote Similarity NPC470000
0.6389 Remote Similarity NPC471086
0.637 Remote Similarity NPC315011
0.6364 Remote Similarity NPC474371
0.6338 Remote Similarity NPC111162
0.6338 Remote Similarity NPC293550
0.6338 Remote Similarity NPC477990
0.6338 Remote Similarity NPC477989
0.6338 Remote Similarity NPC323168
0.6331 Remote Similarity NPC200412
0.6331 Remote Similarity NPC156336
0.6331 Remote Similarity NPC120599
0.6288 Remote Similarity NPC64168
0.6279 Remote Similarity NPC54843
0.6277 Remote Similarity NPC469597
0.6259 Remote Similarity NPC120335
0.625 Remote Similarity NPC309525
0.6241 Remote Similarity NPC93179
0.6241 Remote Similarity NPC163693
0.6241 Remote Similarity NPC147635
0.6212 Remote Similarity NPC173690
0.6212 Remote Similarity NPC80439
0.6212 Remote Similarity NPC279833
0.6212 Remote Similarity NPC6271
0.621 Remote Similarity NPC469631
0.621 Remote Similarity NPC475906
0.621 Remote Similarity NPC471047
0.621 Remote Similarity NPC469653
0.621 Remote Similarity NPC469628
0.6183 Remote Similarity NPC473384
0.6179 Remote Similarity NPC107787
0.6174 Remote Similarity NPC120420
0.6165 Remote Similarity NPC44514
0.6148 Remote Similarity NPC474099
0.6142 Remote Similarity NPC469998
0.6133 Remote Similarity NPC99864
0.6131 Remote Similarity NPC474431
0.6131 Remote Similarity NPC474411
0.6127 Remote Similarity NPC139867
0.6116 Remote Similarity NPC173609
0.6111 Remote Similarity NPC316133
0.6111 Remote Similarity NPC42747
0.6111 Remote Similarity NPC80875
0.6111 Remote Similarity NPC318445
0.6098 Remote Similarity NPC78089
0.6087 Remote Similarity NPC1111
0.6087 Remote Similarity NPC261750
0.6087 Remote Similarity NPC275100
0.6087 Remote Similarity NPC469466
0.608 Remote Similarity NPC475902
0.6071 Remote Similarity NPC30196
0.6066 Remote Similarity NPC474703
0.6063 Remote Similarity NPC70595
0.6063 Remote Similarity NPC284185
0.6063 Remote Similarity NPC123177
0.6063 Remote Similarity NPC74103
0.6063 Remote Similarity NPC150978
0.6061 Remote Similarity NPC128733
0.6061 Remote Similarity NPC133907
0.6061 Remote Similarity NPC46998
0.6061 Remote Similarity NPC185141
0.6061 Remote Similarity NPC110443
0.6058 Remote Similarity NPC473232
0.6058 Remote Similarity NPC195435
0.6058 Remote Similarity NPC469603
0.6058 Remote Similarity NPC196073
0.6042 Remote Similarity NPC192309
0.604 Remote Similarity NPC316401
0.6033 Remote Similarity NPC25684
0.6033 Remote Similarity NPC281949
0.6033 Remote Similarity NPC301477
0.6033 Remote Similarity NPC471325
0.6029 Remote Similarity NPC470535
0.6028 Remote Similarity NPC6531
0.6016 Remote Similarity NPC115786
0.6 Remote Similarity NPC471843
0.6 Remote Similarity NPC476111
0.6 Remote Similarity NPC172998
0.6 Remote Similarity NPC178277
0.6 Remote Similarity NPC1538
0.6 Remote Similarity NPC301596
0.6 Remote Similarity NPC299396
0.5986 Remote Similarity NPC476951
0.5985 Remote Similarity NPC470536
0.5984 Remote Similarity NPC253144
0.5971 Remote Similarity NPC276995
0.5971 Remote Similarity NPC60432
0.5971 Remote Similarity NPC474497
0.5971 Remote Similarity NPC76660
0.5969 Remote Similarity NPC469632
0.5957 Remote Similarity NPC7905
0.5957 Remote Similarity NPC315652
0.5954 Remote Similarity NPC150967
0.5954 Remote Similarity NPC472167
0.5951 Remote Similarity NPC475342
0.5949 Remote Similarity NPC316249
0.5946 Remote Similarity NPC172823
0.5942 Remote Similarity NPC470529
0.5942 Remote Similarity NPC470532
0.5942 Remote Similarity NPC470530
0.5942 Remote Similarity NPC470527
0.5942 Remote Similarity NPC470528
0.5942 Remote Similarity NPC470533
0.5942 Remote Similarity NPC470531
0.594 Remote Similarity NPC188785
0.5938 Remote Similarity NPC20713
0.5935 Remote Similarity NPC39588
0.5926 Remote Similarity NPC75523
0.5923 Remote Similarity NPC273197
0.5923 Remote Similarity NPC234339
0.592 Remote Similarity NPC284902
0.5917 Remote Similarity NPC128276
0.5909 Remote Similarity NPC279561
0.5909 Remote Similarity NPC141191
0.5906 Remote Similarity NPC13071
0.5906 Remote Similarity NPC470539
0.5903 Remote Similarity NPC473808
0.589 Remote Similarity NPC314629
0.5887 Remote Similarity NPC471645
0.5882 Remote Similarity NPC243902
0.5882 Remote Similarity NPC123360
0.5878 Remote Similarity NPC11732
0.5874 Remote Similarity NPC476952
0.5874 Remote Similarity NPC9714
0.5873 Remote Similarity NPC475703
0.587 Remote Similarity NPC24389
0.5868 Remote Similarity NPC270126
0.5865 Remote Similarity NPC469402
0.5859 Remote Similarity NPC469718
0.5859 Remote Similarity NPC329857
0.5859 Remote Similarity NPC47230
0.5859 Remote Similarity NPC312042
0.5859 Remote Similarity NPC62815
0.5859 Remote Similarity NPC17143
0.5859 Remote Similarity NPC129419
0.5859 Remote Similarity NPC471818
0.5852 Remote Similarity NPC199831
0.5852 Remote Similarity NPC474828
0.5852 Remote Similarity NPC475871
0.5852 Remote Similarity NPC474827
0.5852 Remote Similarity NPC68001
0.5852 Remote Similarity NPC475945
0.585 Remote Similarity NPC144625
0.585 Remote Similarity NPC321197
0.5847 Remote Similarity NPC192306
0.5846 Remote Similarity NPC473316
0.5846 Remote Similarity NPC476267
0.5846 Remote Similarity NPC474338
0.5846 Remote Similarity NPC473330
0.5846 Remote Similarity NPC289004
0.5846 Remote Similarity NPC476596
0.5846 Remote Similarity NPC140543
0.584 Remote Similarity NPC161957
0.5839 Remote Similarity NPC478136
0.5833 Remote Similarity NPC57744
0.5833 Remote Similarity NPC472162
0.5833 Remote Similarity NPC241426
0.5833 Remote Similarity NPC169205
0.5833 Remote Similarity NPC471261
0.5828 Remote Similarity NPC189393
0.5828 Remote Similarity NPC90814
0.5827 Remote Similarity NPC127578
0.5821 Remote Similarity NPC472643
0.5821 Remote Similarity NPC314792
0.5821 Remote Similarity NPC474742

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307165 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
0.6493 Remote Similarity NPD2204 Approved
0.6403 Remote Similarity NPD2132 Phase 3
0.637 Remote Similarity NPD2101 Approved
0.6133 Remote Similarity NPD8415 Approved
0.6127 Remote Similarity NPD1689 Approved
0.6111 Remote Similarity NPD7642 Approved
0.6099 Remote Similarity NPD7641 Discontinued
0.6093 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6043 Remote Similarity NPD1376 Discontinued
0.5972 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5931 Remote Similarity NPD8080 Discontinued
0.5903 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5897 Remote Similarity NPD8384 Approved
0.5897 Remote Similarity NPD6077 Discontinued
0.5894 Remote Similarity NPD6845 Suspended
0.5862 Remote Similarity NPD6908 Approved
0.5862 Remote Similarity NPD6909 Approved
0.5862 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5839 Remote Similarity NPD8337 Approved
0.5839 Remote Similarity NPD8336 Approved
0.5822 Remote Similarity NPD7623 Phase 3
0.5822 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5811 Remote Similarity NPD8451 Approved
0.5802 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5772 Remote Similarity NPD8448 Approved
0.5772 Remote Similarity NPD7747 Phase 1
0.5772 Remote Similarity NPD7746 Phase 1
0.5762 Remote Similarity NPD8391 Approved
0.5762 Remote Similarity NPD8390 Approved
0.5762 Remote Similarity NPD8392 Approved
0.5753 Remote Similarity NPD8267 Approved
0.5753 Remote Similarity NPD8268 Approved
0.5753 Remote Similarity NPD8266 Approved
0.5753 Remote Similarity NPD8269 Approved
0.5724 Remote Similarity NPD7260 Phase 2
0.5686 Remote Similarity NPD8338 Approved
0.5638 Remote Similarity NPD8342 Approved
0.5638 Remote Similarity NPD8299 Approved
0.5638 Remote Similarity NPD8341 Approved
0.5638 Remote Similarity NPD8340 Approved
0.5629 Remote Similarity NPD8414 Discontinued

Structure

External Identifiers

PubChem CID   24897175
ChEMBL   CHEMBL482671
ZINC  

Physicochemical Properties

Molecular Weight:  431.19
ALogP:  -0.7339
MLogP:  3.11
XLogP:  2.189
# Rotatable Bonds:  7
Polar Surface Area:  91.37
# H-Bond Aceptor:  8
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  31

Download Data

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