Natural Product: NPC323126

Natural Product ID:  NPC323126
Common Name:   Strongylin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H32O3
Standard InCHIKey:  AHDRBWCUVQGBTR-DNEUNLEDSA-N
Standard InCHI:  InChI=1S/C22H32O3/c1-14-7-10-18-20(2,3)11-6-12-22(18)21(14,4)13-15-17(24-5)9-8-16(23)19(15)25-22/h8-9,14,18,23H,6-7,10-13H2,1-5H3/t14-,18-,21+,22-/m0/s1
Canonical SMILES:  COc1ccc(c2c1C[C@]1(C)[C@@H](C)CC[C@@H]3[C@@]1(O2)CCCC3(C)C)O
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
NPO30122 Strongylophora hartmani NA NA NA PMID[1791476]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 = 13 ug/ml 1791476
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) IC50 = 6.5 ug/ml 1791476

  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 NPC323126 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
0.9357 High Similarity NPC90645
0.9343 High Similarity NPC19869
0.9265 High Similarity NPC327382
0.9236 High Similarity NPC2745
0.922 High Similarity NPC472457
0.9172 High Similarity NPC157783
0.9167 High Similarity NPC195561
0.9167 High Similarity NPC158784
0.9103 High Similarity NPC302915
0.9041 High Similarity NPC325860
0.9028 High Similarity NPC212142
0.9021 High Similarity NPC475896
0.8951 High Similarity NPC292256
0.8936 High Similarity NPC35216
0.8929 High Similarity NPC127218
0.8929 High Similarity NPC25966
0.8929 High Similarity NPC319647
0.8929 High Similarity NPC245207
0.8912 High Similarity NPC160196
0.8897 High Similarity NPC473876
0.8881 High Similarity NPC50250
0.8873 High Similarity NPC204347
0.8873 High Similarity NPC2613
0.8873 High Similarity NPC59841
0.8873 High Similarity NPC475891
0.8865 High Similarity NPC198038
0.8865 High Similarity NPC259519
0.8857 High Similarity NPC276490
0.8836 High Similarity NPC476969
0.8832 High Similarity NPC82503
0.8828 High Similarity NPC16269
0.8828 High Similarity NPC21776
0.8803 High Similarity NPC471389
0.8794 High Similarity NPC212942
0.8794 High Similarity NPC29868
0.8794 High Similarity NPC260741
0.8794 High Similarity NPC79622
0.8794 High Similarity NPC70682
0.8792 High Similarity NPC188578
0.8792 High Similarity NPC80918
0.8786 High Similarity NPC270456
0.8786 High Similarity NPC248727
0.8786 High Similarity NPC173660
0.8786 High Similarity NPC265433
0.8786 High Similarity NPC162659
0.8777 High Similarity NPC103967
0.8759 High Similarity NPC112251
0.8759 High Similarity NPC220935
0.8759 High Similarity NPC233980
0.875 High Similarity NPC473108
0.875 High Similarity NPC469795
0.875 High Similarity NPC93323
0.875 High Similarity NPC45257
0.875 High Similarity NPC63879
0.875 High Similarity NPC473845
0.875 High Similarity NPC280092
0.875 High Similarity NPC12641
0.8741 High Similarity NPC107161
0.8732 High Similarity NPC234568
0.8723 High Similarity NPC474282
0.8723 High Similarity NPC107551
0.8723 High Similarity NPC326797
0.8723 High Similarity NPC102904
0.8723 High Similarity NPC176051
0.8723 High Similarity NPC103976
0.8714 High Similarity NPC281521
0.8714 High Similarity NPC313081
0.8714 High Similarity NPC195022
0.8714 High Similarity NPC283009
0.8714 High Similarity NPC261873
0.8714 High Similarity NPC255147
0.8714 High Similarity NPC201357
0.8699 High Similarity NPC101376
0.8699 High Similarity NPC474397
0.8696 High Similarity NPC469907
0.8696 High Similarity NPC45715
0.8696 High Similarity NPC474356
0.8696 High Similarity NPC12275
0.8686 High Similarity NPC222108
0.8686 High Similarity NPC96719
0.8681 High Similarity NPC85264
0.8681 High Similarity NPC47633
0.8681 High Similarity NPC102044
0.8671 High Similarity NPC247291
0.8662 High Similarity NPC292882
0.8662 High Similarity NPC184613
0.8662 High Similarity NPC471388
0.8652 High Similarity NPC230734
0.8652 High Similarity NPC205442
0.8652 High Similarity NPC143139
0.8652 High Similarity NPC474639
0.8652 High Similarity NPC472800
0.8652 High Similarity NPC202846
0.8652 High Similarity NPC227503
0.8643 High Similarity NPC317380
0.8643 High Similarity NPC106215
0.8636 High Similarity NPC140346
0.8633 High Similarity NPC218884
0.8633 High Similarity NPC127624
0.8633 High Similarity NPC202762
0.8633 High Similarity NPC6451
0.8633 High Similarity NPC86655
0.863 High Similarity NPC475872
0.8613 High Similarity NPC266691
0.8611 High Similarity NPC175838
0.8603 High Similarity NPC245060
0.8603 High Similarity NPC476006
0.8603 High Similarity NPC112596
0.8601 High Similarity NPC184797
0.8601 High Similarity NPC254759
0.8601 High Similarity NPC73505
0.8601 High Similarity NPC295719
0.8601 High Similarity NPC165026
0.8601 High Similarity NPC309124
0.8601 High Similarity NPC160283
0.8601 High Similarity NPC27495
0.8601 High Similarity NPC34431
0.8593 High Similarity NPC248557
0.8592 High Similarity NPC25111
0.8592 High Similarity NPC6262
0.8592 High Similarity NPC90615
0.8592 High Similarity NPC73535
0.8592 High Similarity NPC211549
0.8592 High Similarity NPC272157
0.8592 High Similarity NPC201145
0.8582 High Similarity NPC474206
0.8582 High Similarity NPC108198
0.8582 High Similarity NPC151224
0.8582 High Similarity NPC470356
0.8582 High Similarity NPC94750
0.8582 High Similarity NPC121812
0.8582 High Similarity NPC112246
0.8582 High Similarity NPC69029
0.8582 High Similarity NPC134968
0.8582 High Similarity NPC294884
0.8582 High Similarity NPC158142
0.8582 High Similarity NPC200557
0.8582 High Similarity NPC241241
0.8582 High Similarity NPC112939
0.8582 High Similarity NPC10314
0.8571 High Similarity NPC269528
0.8571 High Similarity NPC37196
0.8571 High Similarity NPC94236
0.8562 High Similarity NPC469557
0.8561 High Similarity NPC232275
0.8552 High Similarity NPC474104
0.8552 High Similarity NPC477616
0.8552 High Similarity NPC472451
0.8551 High Similarity NPC190144
0.8542 High Similarity NPC178054
0.8542 High Similarity NPC265075
0.8542 High Similarity NPC71046
0.854 High Similarity NPC216836
0.8531 High Similarity NPC232164
0.8531 High Similarity NPC473739
0.8531 High Similarity NPC6300
0.8531 High Similarity NPC230124
0.8531 High Similarity NPC32630
0.8531 High Similarity NPC114171
0.8531 High Similarity NPC236306
0.8523 High Similarity NPC477612
0.8521 High Similarity NPC302701
0.8521 High Similarity NPC269091
0.8521 High Similarity NPC476639
0.8521 High Similarity NPC16435
0.8521 High Similarity NPC114155
0.8521 High Similarity NPC30632
0.8521 High Similarity NPC306441
0.8521 High Similarity NPC300846
0.8521 High Similarity NPC126101
0.8521 High Similarity NPC234952
0.8521 High Similarity NPC472336
0.8521 High Similarity NPC472334
0.8514 High Similarity NPC281549
0.8511 High Similarity NPC125649
0.8511 High Similarity NPC209199
0.8511 High Similarity NPC160697
0.8503 High Similarity NPC211758
0.8503 High Similarity NPC260397
0.8503 High Similarity NPC87794
0.85 High Similarity NPC14224
0.85 High Similarity NPC161958
0.85 High Similarity NPC161203
0.8489 Intermediate Similarity NPC299221
0.8489 Intermediate Similarity NPC234488
0.8489 Intermediate Similarity NPC311680
0.8489 Intermediate Similarity NPC214860
0.8489 Intermediate Similarity NPC192687
0.8489 Intermediate Similarity NPC51840
0.8489 Intermediate Similarity NPC224157
0.8478 Intermediate Similarity NPC63179
0.8478 Intermediate Similarity NPC47288
0.8472 Intermediate Similarity NPC291101
0.8472 Intermediate Similarity NPC12668
0.8472 Intermediate Similarity NPC308768
0.8472 Intermediate Similarity NPC266197
0.8472 Intermediate Similarity NPC20520
0.8472 Intermediate Similarity NPC61783
0.8472 Intermediate Similarity NPC22317
0.8462 Intermediate Similarity NPC56329

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC323126 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
0.8489 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.8345 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8286 Intermediate Similarity NPD4625 Phase 3
0.8273 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8248 Intermediate Similarity NPD4749 Approved
0.8239 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD1613 Approved
0.8099 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8085 Intermediate Similarity NPD4908 Phase 1
0.8082 Intermediate Similarity NPD6100 Approved
0.8082 Intermediate Similarity NPD6099 Approved
0.8058 Intermediate Similarity NPD6696 Suspended
0.8028 Intermediate Similarity NPD3027 Phase 3
0.7943 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD6671 Approved
0.7842 Intermediate Similarity NPD1610 Phase 2
0.78 Intermediate Similarity NPD6674 Discontinued
0.7762 Intermediate Similarity NPD2861 Phase 2
0.7748 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD3620 Phase 2
0.774 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7664 Intermediate Similarity NPD7340 Approved
0.761 Intermediate Similarity NPD2801 Approved
0.759 Intermediate Similarity NPD5844 Phase 1
0.7547 Intermediate Similarity NPD1934 Approved
0.7531 Intermediate Similarity NPD6234 Discontinued
0.753 Intermediate Similarity NPD7228 Approved
0.7516 Intermediate Similarity NPD1653 Approved
0.75 Intermediate Similarity NPD7906 Approved
0.75 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD4577 Approved
0.7471 Intermediate Similarity NPD4578 Approved
0.745 Intermediate Similarity NPD5735 Approved
0.7445 Intermediate Similarity NPD1398 Phase 1
0.7442 Intermediate Similarity NPD4663 Approved
0.7429 Intermediate Similarity NPD1548 Phase 1
0.741 Intermediate Similarity NPD6166 Phase 2
0.741 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD7311 Approved
0.7368 Intermediate Similarity NPD7310 Approved
0.7368 Intermediate Similarity NPD7312 Approved
0.7368 Intermediate Similarity NPD7313 Approved
0.7338 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD37 Approved
0.7326 Intermediate Similarity NPD7309 Approved
0.7325 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7549 Discontinued
0.731 Intermediate Similarity NPD8651 Approved
0.7305 Intermediate Similarity NPD2489 Approved
0.7305 Intermediate Similarity NPD27 Approved
0.7301 Intermediate Similarity NPD4967 Phase 2
0.7301 Intermediate Similarity NPD4965 Approved
0.7301 Intermediate Similarity NPD4966 Approved
0.7299 Intermediate Similarity NPD228 Approved
0.7289 Intermediate Similarity NPD3051 Approved
0.7284 Intermediate Similarity NPD1465 Phase 2
0.7279 Intermediate Similarity NPD3018 Phase 2
0.7273 Intermediate Similarity NPD5494 Approved
0.7267 Intermediate Similarity NPD4060 Phase 1
0.7262 Intermediate Similarity NPD7473 Discontinued
0.7246 Intermediate Similarity NPD2969 Approved
0.7246 Intermediate Similarity NPD2970 Approved
0.7241 Intermediate Similarity NPD5327 Phase 3
0.7235 Intermediate Similarity NPD7074 Phase 3
0.7229 Intermediate Similarity NPD7199 Phase 2
0.7225 Intermediate Similarity NPD8053 Approved
0.7225 Intermediate Similarity NPD8054 Approved
0.7215 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD5762 Approved
0.7208 Intermediate Similarity NPD5763 Approved
0.7194 Intermediate Similarity NPD5283 Phase 1
0.7186 Intermediate Similarity NPD6232 Discontinued
0.7184 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD7095 Approved
0.7176 Intermediate Similarity NPD7054 Approved
0.7171 Intermediate Similarity NPD6353 Approved
0.7171 Intermediate Similarity NPD4097 Suspended
0.7153 Intermediate Similarity NPD4750 Phase 3
0.7152 Intermediate Similarity NPD1511 Approved
0.7143 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7472 Approved
0.7126 Intermediate Similarity NPD8127 Discontinued
0.7123 Intermediate Similarity NPD2982 Phase 2
0.7123 Intermediate Similarity NPD2983 Phase 2
0.7107 Intermediate Similarity NPD7447 Phase 1
0.7105 Intermediate Similarity NPD5124 Phase 1
0.7105 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD1091 Approved
0.7095 Intermediate Similarity NPD4624 Approved
0.7092 Intermediate Similarity NPD7157 Approved
0.7091 Intermediate Similarity NPD3882 Suspended
0.707 Intermediate Similarity NPD7466 Approved
0.7063 Intermediate Similarity NPD1512 Approved
0.7063 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD2981 Phase 2
0.7052 Intermediate Similarity NPD7240 Approved
0.7048 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7831 Phase 2
0.7048 Intermediate Similarity NPD7833 Phase 2
0.7039 Intermediate Similarity NPD1558 Phase 1
0.7039 Intermediate Similarity NPD4140 Approved
0.703 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD6959 Discontinued
0.702 Intermediate Similarity NPD7985 Registered
0.7013 Intermediate Similarity NPD6111 Discontinued
0.7012 Intermediate Similarity NPD5722 Discontinued
0.7011 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD5177 Phase 3
0.7 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7635 Approved
0.6993 Remote Similarity NPD7644 Approved
0.6987 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6986 Remote Similarity NPD422 Phase 1
0.6982 Remote Similarity NPD3787 Discontinued
0.6981 Remote Similarity NPD7124 Phase 2
0.6968 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6968 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6962 Remote Similarity NPD3892 Phase 2
0.6962 Remote Similarity NPD8166 Discontinued
0.6954 Remote Similarity NPD7251 Discontinued
0.6939 Remote Similarity NPD2233 Approved
0.6939 Remote Similarity NPD2232 Approved
0.6939 Remote Similarity NPD2230 Approved
0.6937 Remote Similarity NPD7212 Phase 2
0.6937 Remote Similarity NPD7213 Phase 3
0.6934 Remote Similarity NPD968 Approved
0.6928 Remote Similarity NPD2238 Phase 2
0.6928 Remote Similarity NPD3817 Phase 2
0.6919 Remote Similarity NPD3818 Discontinued
0.6918 Remote Similarity NPD3496 Discontinued
0.6914 Remote Similarity NPD7808 Phase 3
0.6913 Remote Similarity NPD3094 Phase 2
0.6908 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6906 Remote Similarity NPD3021 Approved
0.6906 Remote Similarity NPD3022 Approved
0.6903 Remote Similarity NPD7097 Phase 1
0.6897 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6797 Phase 2
0.6894 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6894 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6892 Remote Similarity NPD4379 Clinical (unspecified phase)
0.689 Remote Similarity NPD4380 Phase 2
0.6884 Remote Similarity NPD290 Approved
0.6883 Remote Similarity NPD3657 Discovery
0.6882 Remote Similarity NPD6071 Discontinued
0.6879 Remote Similarity NPD7266 Discontinued
0.6871 Remote Similarity NPD3092 Approved
0.6871 Remote Similarity NPD3705 Approved
0.6871 Remote Similarity NPD1611 Approved
0.6867 Remote Similarity NPD7819 Suspended
0.6867 Remote Similarity NPD5929 Approved
0.6865 Remote Similarity NPD2494 Approved
0.6865 Remote Similarity NPD2493 Approved
0.6855 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6855 Remote Similarity NPD3750 Approved
0.6855 Remote Similarity NPD4110 Phase 3
0.6852 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6849 Remote Similarity NPD1778 Approved
0.6848 Remote Similarity NPD6072 Discontinued
0.6845 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7075 Discontinued
0.6845 Remote Similarity NPD4583 Approved
0.6845 Remote Similarity NPD4582 Approved
0.6836 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6835 Remote Similarity NPD2684 Approved
0.6833 Remote Similarity NPD2490 Approved
0.6833 Remote Similarity NPD2488 Approved
0.6828 Remote Similarity NPD7741 Discontinued
0.6826 Remote Similarity NPD2560 Approved
0.6826 Remote Similarity NPD2563 Approved
0.6826 Remote Similarity NPD5402 Approved
0.6821 Remote Similarity NPD3751 Discontinued
0.6821 Remote Similarity NPD8251 Approved
0.6821 Remote Similarity NPD8252 Approved
0.6821 Remote Similarity NPD8099 Discontinued
0.6815 Remote Similarity NPD289 Clinical (unspecified phase)
0.6813 Remote Similarity NPD2677 Approved
0.6813 Remote Similarity NPD5307 Clinical (unspecified phase)
0.68 Remote Similarity NPD2797 Approved
0.6795 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6795 Remote Similarity NPD4536 Approved
0.6795 Remote Similarity NPD4538 Approved
0.6792 Remote Similarity NPD1652 Phase 2
0.6791 Remote Similarity NPD4004 Approved
0.6791 Remote Similarity NPD4002 Approved
0.679 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6788 Remote Similarity NPD4675 Approved
0.6788 Remote Similarity NPD4678 Approved
0.6786 Remote Similarity NPD7768 Phase 2
0.6784 Remote Similarity NPD7229 Phase 3
0.6782 Remote Similarity NPD8156 Discontinued
0.6778 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6774 Remote Similarity NPD3452 Approved
0.6774 Remote Similarity NPD3450 Approved
0.6772 Remote Similarity NPD3540 Phase 1
0.6766 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6761 Remote Similarity NPD7843 Approved

Structure

External Identifiers

PubChem CID   9928112
ChEMBL   CHEMBL490779
ZINC  

Physicochemical Properties

Molecular Weight:  344.24
ALogP:  1.3318
MLogP:  3.55
XLogP:  5.802
# Rotatable Bonds:  7
Polar Surface Area:  38.69
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  25

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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