Natural Product: NPC282477

Natural Product ID:  NPC282477
Common Name:   Isocorcovadine
IUPAC Name:   [1-[[(2Z,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-2-methylpropan-2-yl] acetate
Synonyms:   Isocorcovadine
Molecular Formula:   C18H21NO5
Standard InCHIKey:  QGDBWUXDIODTEX-PEPZGXQESA-N
Standard InCHI:  InChI=1S/C18H21NO5/c1-13(20)24-18(2,3)11-19-17(21)7-5-4-6-14-8-9-15-16(10-14)23-12-22-15/h4-10H,11-12H2,1-3H3,(H,19,21)/b6-4-,7-5-
Canonical SMILES:  CC(=O)OC(CN=C(/C=CC=C/c1ccc2c(c1)OCO2)O)(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
NPO7781 Piper scutifolium Species Piperaceae Eukaryota PMID[18031016]
NPO33260 piper hoffmanseggianum Species Piperaceae Eukaryota PMID[18031016]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT488 Organism Cladosporium sphaerospermum Cladosporium sphaerospermum MIC = 1 ug 18559652
NPT487 Organism Cladosporium cladosporioides Cladosporium cladosporioides MIC = 2.5 ug 18443122

  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 NPC282477 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
1.0 High Similarity NPC284855
0.9213 High Similarity NPC170583
0.9213 High Similarity NPC246133
0.9213 High Similarity NPC71105
0.9213 High Similarity NPC152186
0.9213 High Similarity NPC207541
0.9213 High Similarity NPC182147
0.9141 High Similarity NPC251466
0.9141 High Similarity NPC156944
0.9134 High Similarity NPC300955
0.9091 High Similarity NPC473463
0.907 High Similarity NPC157740
0.907 High Similarity NPC99798
0.907 High Similarity NPC291449
0.907 High Similarity NPC41331
0.9 High Similarity NPC246974
0.9 High Similarity NPC147247
0.8788 High Similarity NPC470706
0.8779 High Similarity NPC191302
0.8712 High Similarity NPC469977
0.8372 Intermediate Similarity NPC57501
0.8372 Intermediate Similarity NPC69670
0.8321 Intermediate Similarity NPC114845
0.8222 Intermediate Similarity NPC186898
0.8217 Intermediate Similarity NPC212643
0.8217 Intermediate Similarity NPC199209
0.8148 Intermediate Similarity NPC301713
0.8102 Intermediate Similarity NPC195749
0.8102 Intermediate Similarity NPC35961
0.8102 Intermediate Similarity NPC52029
0.8095 Intermediate Similarity NPC182119
0.8088 Intermediate Similarity NPC153990
0.8085 Intermediate Similarity NPC254610
0.8045 Intermediate Similarity NPC193484
0.8042 Intermediate Similarity NPC275150
0.8029 Intermediate Similarity NPC155838
0.8016 Intermediate Similarity NPC127326
0.7987 Intermediate Similarity NPC474560
0.7986 Intermediate Similarity NPC214869
0.7985 Intermediate Similarity NPC256167
0.7984 Intermediate Similarity NPC294941
0.7956 Intermediate Similarity NPC251571
0.7955 Intermediate Similarity NPC37858
0.7941 Intermediate Similarity NPC85830
0.7914 Intermediate Similarity NPC114102
0.7902 Intermediate Similarity NPC299583
0.7891 Intermediate Similarity NPC166837
0.7887 Intermediate Similarity NPC469808
0.7879 Intermediate Similarity NPC124916
0.7857 Intermediate Similarity NPC318862
0.7842 Intermediate Similarity NPC476748
0.7836 Intermediate Similarity NPC204466
0.7832 Intermediate Similarity NPC14600
0.7832 Intermediate Similarity NPC41473
0.7832 Intermediate Similarity NPC204848
0.7832 Intermediate Similarity NPC312770
0.7832 Intermediate Similarity NPC160607
0.7823 Intermediate Similarity NPC327623
0.7812 Intermediate Similarity NPC31279
0.7794 Intermediate Similarity NPC249788
0.7786 Intermediate Similarity NPC255550
0.7786 Intermediate Similarity NPC308885
0.7778 Intermediate Similarity NPC70752
0.7761 Intermediate Similarity NPC344161
0.7761 Intermediate Similarity NPC202474
0.7761 Intermediate Similarity NPC2058
0.7754 Intermediate Similarity NPC274356
0.7752 Intermediate Similarity NPC245552
0.7746 Intermediate Similarity NPC94280
0.7746 Intermediate Similarity NPC103947
0.7746 Intermediate Similarity NPC159150
0.7746 Intermediate Similarity NPC328419
0.7746 Intermediate Similarity NPC193673
0.7746 Intermediate Similarity NPC45783
0.7744 Intermediate Similarity NPC277460
0.7744 Intermediate Similarity NPC272471
0.7744 Intermediate Similarity NPC164706
0.7744 Intermediate Similarity NPC137537
0.7744 Intermediate Similarity NPC159916
0.7744 Intermediate Similarity NPC70744
0.7744 Intermediate Similarity NPC107588
0.7737 Intermediate Similarity NPC20443
0.7737 Intermediate Similarity NPC146886
0.7737 Intermediate Similarity NPC246704
0.7737 Intermediate Similarity NPC60517
0.7736 Intermediate Similarity NPC474953
0.773 Intermediate Similarity NPC93882
0.773 Intermediate Similarity NPC130595
0.7727 Intermediate Similarity NPC111225
0.7724 Intermediate Similarity NPC226005
0.7724 Intermediate Similarity NPC77572
0.7708 Intermediate Similarity NPC470707
0.7698 Intermediate Similarity NPC64948
0.7692 Intermediate Similarity NPC96406
0.7692 Intermediate Similarity NPC180647
0.7692 Intermediate Similarity NPC277042
0.7692 Intermediate Similarity NPC136330
0.7692 Intermediate Similarity NPC196609
0.7692 Intermediate Similarity NPC165646
0.7692 Intermediate Similarity NPC205178
0.7692 Intermediate Similarity NPC255817
0.7692 Intermediate Similarity NPC73883
0.7692 Intermediate Similarity NPC251454
0.7692 Intermediate Similarity NPC230698
0.7681 Intermediate Similarity NPC289459
0.7681 Intermediate Similarity NPC280767
0.7676 Intermediate Similarity NPC6854
0.7676 Intermediate Similarity NPC252833
0.7676 Intermediate Similarity NPC313737
0.7676 Intermediate Similarity NPC285078
0.7669 Intermediate Similarity NPC280001
0.766 Intermediate Similarity NPC275950
0.7655 Intermediate Similarity NPC296898
0.7652 Intermediate Similarity NPC303370
0.7647 Intermediate Similarity NPC301641
0.7647 Intermediate Similarity NPC80241
0.7639 Intermediate Similarity NPC99078
0.7639 Intermediate Similarity NPC137172
0.7639 Intermediate Similarity NPC477301
0.7639 Intermediate Similarity NPC145446
0.7634 Intermediate Similarity NPC303522
0.7626 Intermediate Similarity NPC120225
0.7626 Intermediate Similarity NPC213552
0.7622 Intermediate Similarity NPC205915
0.7622 Intermediate Similarity NPC25821
0.7622 Intermediate Similarity NPC167096
0.7622 Intermediate Similarity NPC6836
0.7622 Intermediate Similarity NPC218530
0.7619 Intermediate Similarity NPC282291
0.7619 Intermediate Similarity NPC166137
0.7615 Intermediate Similarity NPC55300
0.7612 Intermediate Similarity NPC205502
0.7606 Intermediate Similarity NPC476345
0.7606 Intermediate Similarity NPC217574
0.7589 Intermediate Similarity NPC470633
0.7589 Intermediate Similarity NPC228769
0.7586 Intermediate Similarity NPC157554
0.7586 Intermediate Similarity NPC194359
0.7586 Intermediate Similarity NPC225745
0.7586 Intermediate Similarity NPC252107
0.7586 Intermediate Similarity NPC28641
0.7586 Intermediate Similarity NPC220923
0.7586 Intermediate Similarity NPC37468
0.7586 Intermediate Similarity NPC95366
0.7586 Intermediate Similarity NPC248505
0.7584 Intermediate Similarity NPC110063
0.7584 Intermediate Similarity NPC313414
0.7578 Intermediate Similarity NPC227894
0.7574 Intermediate Similarity NPC183262
0.7574 Intermediate Similarity NPC83279
0.7569 Intermediate Similarity NPC470881
0.7569 Intermediate Similarity NPC264956
0.7568 Intermediate Similarity NPC63628
0.7568 Intermediate Similarity NPC178466
0.7556 Intermediate Similarity NPC256369
0.7537 Intermediate Similarity NPC33271
0.7536 Intermediate Similarity NPC21238
0.7535 Intermediate Similarity NPC477694
0.7535 Intermediate Similarity NPC181079
0.7535 Intermediate Similarity NPC477705
0.7535 Intermediate Similarity NPC63574
0.7535 Intermediate Similarity NPC173308
0.7518 Intermediate Similarity NPC110313
0.7518 Intermediate Similarity NPC310373
0.7518 Intermediate Similarity NPC177291
0.7518 Intermediate Similarity NPC194416
0.7517 Intermediate Similarity NPC174191
0.75 Intermediate Similarity NPC40352
0.75 Intermediate Similarity NPC169973
0.75 Intermediate Similarity NPC213711
0.75 Intermediate Similarity NPC263835
0.7483 Intermediate Similarity NPC115144
0.7483 Intermediate Similarity NPC477706
0.7483 Intermediate Similarity NPC277857
0.7483 Intermediate Similarity NPC100389
0.7483 Intermediate Similarity NPC318575
0.7483 Intermediate Similarity NPC470392
0.7467 Intermediate Similarity NPC297342
0.7466 Intermediate Similarity NPC471988
0.7466 Intermediate Similarity NPC143895
0.7465 Intermediate Similarity NPC248355
0.7465 Intermediate Similarity NPC307110
0.7465 Intermediate Similarity NPC83062
0.7464 Intermediate Similarity NPC286573
0.7464 Intermediate Similarity NPC288238
0.7463 Intermediate Similarity NPC268317
0.7462 Intermediate Similarity NPC36108
0.7462 Intermediate Similarity NPC246358
0.7462 Intermediate Similarity NPC7097
0.7462 Intermediate Similarity NPC233731
0.746 Intermediate Similarity NPC12714
0.746 Intermediate Similarity NPC310905
0.7455 Intermediate Similarity NPC475794
0.745 Intermediate Similarity NPC52664
0.7448 Intermediate Similarity NPC176814
0.7448 Intermediate Similarity NPC67247
0.7448 Intermediate Similarity NPC68779
0.7448 Intermediate Similarity NPC110958
0.7448 Intermediate Similarity NPC5310
0.7448 Intermediate Similarity NPC300776

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC282477 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
0.8255 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7972 Intermediate Similarity NPD1375 Discontinued
0.7955 Intermediate Similarity NPD1357 Approved
0.7838 Intermediate Similarity NPD4739 Approved
0.7786 Intermediate Similarity NPD3144 Approved
0.7786 Intermediate Similarity NPD3145 Approved
0.773 Intermediate Similarity NPD2674 Phase 3
0.7712 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD2492 Phase 1
0.766 Intermediate Similarity NPD1048 Approved
0.7647 Intermediate Similarity NPD776 Approved
0.7647 Intermediate Similarity NPD3705 Approved
0.7609 Intermediate Similarity NPD2922 Phase 1
0.7606 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD7153 Discontinued
0.7536 Intermediate Similarity NPD3685 Discontinued
0.7534 Intermediate Similarity NPD2161 Phase 2
0.7483 Intermediate Similarity NPD4123 Phase 3
0.7483 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD4108 Discontinued
0.7448 Intermediate Similarity NPD2653 Approved
0.7417 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD3111 Phase 1
0.74 Intermediate Similarity NPD2219 Phase 1
0.7383 Intermediate Similarity NPD4237 Approved
0.7383 Intermediate Similarity NPD4236 Phase 3
0.7365 Intermediate Similarity NPD3656 Approved
0.7351 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD228 Approved
0.7338 Intermediate Similarity NPD3687 Approved
0.7338 Intermediate Similarity NPD3686 Approved
0.7333 Intermediate Similarity NPD6331 Phase 2
0.7308 Intermediate Similarity NPD1358 Approved
0.7303 Intermediate Similarity NPD4357 Discontinued
0.7286 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD5536 Phase 2
0.7255 Intermediate Similarity NPD3146 Approved
0.7255 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD4675 Approved
0.7244 Intermediate Similarity NPD4678 Approved
0.7239 Intermediate Similarity NPD5283 Phase 1
0.7226 Intermediate Similarity NPD4210 Discontinued
0.7219 Intermediate Similarity NPD4110 Phase 3
0.7219 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD2977 Approved
0.7215 Intermediate Similarity NPD5773 Approved
0.7215 Intermediate Similarity NPD2978 Approved
0.7215 Intermediate Similarity NPD5772 Approved
0.7208 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD7526 Approved
0.7208 Intermediate Similarity NPD52 Approved
0.7208 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD4993 Discontinued
0.7188 Intermediate Similarity NPD5604 Discontinued
0.7188 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD6032 Approved
0.7172 Intermediate Similarity NPD5110 Phase 2
0.7172 Intermediate Similarity NPD5111 Phase 2
0.7172 Intermediate Similarity NPD5109 Approved
0.7163 Intermediate Similarity NPD1669 Approved
0.7153 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD6584 Phase 3
0.7099 Intermediate Similarity NPD3134 Approved
0.7095 Intermediate Similarity NPD2157 Approved
0.7083 Intermediate Similarity NPD1712 Approved
0.7059 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD3060 Approved
0.7039 Intermediate Similarity NPD4162 Approved
0.7037 Intermediate Similarity NPD821 Approved
0.7007 Intermediate Similarity NPD709 Approved
0.7007 Intermediate Similarity NPD5745 Approved
0.7 Intermediate Similarity NPD4626 Approved
0.6987 Remote Similarity NPD6390 Discontinued
0.6986 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6981 Remote Similarity NPD3274 Phase 2
0.698 Remote Similarity NPD1772 Clinical (unspecified phase)
0.698 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6974 Remote Similarity NPD1372 Clinical (unspecified phase)
0.6966 Remote Similarity NPD2237 Approved
0.6959 Remote Similarity NPD1558 Phase 1
0.6954 Remote Similarity NPD2239 Approved
0.6954 Remote Similarity NPD2240 Approved
0.6951 Remote Similarity NPD2821 Approved
0.695 Remote Similarity NPD3847 Discontinued
0.695 Remote Similarity NPD3496 Discontinued
0.6943 Remote Similarity NPD2122 Discontinued
0.6939 Remote Similarity NPD5718 Phase 2
0.6923 Remote Similarity NPD6583 Phase 3
0.6923 Remote Similarity NPD6582 Phase 2
0.6903 Remote Similarity NPD5756 Phase 2
0.6892 Remote Similarity NPD839 Approved
0.6892 Remote Similarity NPD840 Approved
0.6879 Remote Similarity NPD2667 Approved
0.6879 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6879 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6879 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6879 Remote Similarity NPD2668 Approved
0.6879 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5090 Approved
0.6875 Remote Similarity NPD5089 Approved
0.6871 Remote Similarity NPD5746 Approved
0.6871 Remote Similarity NPD7095 Approved
0.6871 Remote Similarity NPD5163 Phase 2
0.6866 Remote Similarity NPD2684 Approved
0.6863 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6859 Remote Similarity NPD5297 Approved
0.6855 Remote Similarity NPD4005 Discontinued
0.6853 Remote Similarity NPD2232 Approved
0.6853 Remote Similarity NPD2233 Approved
0.6853 Remote Similarity NPD2230 Approved
0.6849 Remote Similarity NPD2250 Discontinued
0.6846 Remote Similarity NPD4060 Phase 1
0.6846 Remote Similarity NPD2203 Discontinued
0.6846 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6839 Remote Similarity NPD5241 Discontinued
0.6835 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6835 Remote Similarity NPD3596 Phase 2
0.6832 Remote Similarity NPD37 Approved
0.6821 Remote Similarity NPD6895 Approved
0.6821 Remote Similarity NPD6896 Approved
0.6818 Remote Similarity NPD5289 Phase 2
0.6815 Remote Similarity NPD556 Approved
0.6815 Remote Similarity NPD1771 Clinical (unspecified phase)
0.6813 Remote Similarity NPD7028 Phase 2
0.681 Remote Similarity NPD4967 Phase 2
0.681 Remote Similarity NPD4965 Approved
0.681 Remote Similarity NPD4966 Approved
0.6809 Remote Similarity NPD5691 Approved
0.6806 Remote Similarity NPD2983 Phase 2
0.6806 Remote Similarity NPD2982 Phase 2
0.6803 Remote Similarity NPD2614 Approved
0.68 Remote Similarity NPD555 Phase 2
0.6797 Remote Similarity NPD7266 Discontinued
0.6792 Remote Similarity NPD1653 Approved
0.6788 Remote Similarity NPD5535 Approved
0.6788 Remote Similarity NPD7843 Approved
0.6782 Remote Similarity NPD3857 Clinical (unspecified phase)
0.6779 Remote Similarity NPD1423 Approved
0.6779 Remote Similarity NPD259 Phase 1
0.6776 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6776 Remote Similarity NPD6028 Clinical (unspecified phase)
0.677 Remote Similarity NPD6386 Approved
0.677 Remote Similarity NPD6385 Approved
0.6763 Remote Similarity NPD7157 Approved
0.6763 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6757 Remote Similarity NPD3180 Approved
0.6757 Remote Similarity NPD3179 Approved
0.6757 Remote Similarity NPD3027 Phase 3
0.6753 Remote Similarity NPD1044 Clinical (unspecified phase)
0.675 Remote Similarity NPD3455 Phase 2
0.6748 Remote Similarity NPD5353 Approved
0.6738 Remote Similarity NPD6580 Approved
0.6738 Remote Similarity NPD6581 Approved
0.6736 Remote Similarity NPD2981 Phase 2
0.6735 Remote Similarity NPD9494 Approved
0.6735 Remote Similarity NPD2040 Clinical (unspecified phase)
0.6733 Remote Similarity NPD826 Approved
0.6733 Remote Similarity NPD825 Approved
0.6731 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6727 Remote Similarity NPD6234 Discontinued
0.6712 Remote Similarity NPD1820 Approved
0.6712 Remote Similarity NPD1818 Approved
0.6712 Remote Similarity NPD1817 Approved
0.6712 Remote Similarity NPD1819 Approved
0.6711 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6711 Remote Similarity NPD7119 Phase 2
0.671 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6709 Remote Similarity NPD3536 Discontinued
0.6709 Remote Similarity NPD5348 Clinical (unspecified phase)
0.6705 Remote Similarity NPD7281 Phase 3
0.6705 Remote Similarity NPD7280 Phase 3
0.669 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6689 Remote Similarity NPD447 Suspended
0.6688 Remote Similarity NPD5865 Clinical (unspecified phase)
0.6687 Remote Similarity NPD7972 Discontinued
0.6687 Remote Similarity NPD5677 Discontinued
0.6667 Remote Similarity NPD558 Phase 2
0.6667 Remote Similarity NPD3530 Approved
0.6667 Remote Similarity NPD4083 Discontinued
0.6667 Remote Similarity NPD3058 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3532 Approved
0.6667 Remote Similarity NPD3531 Approved
0.6667 Remote Similarity NPD6873 Phase 2
0.6667 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3885 Approved
0.6647 Remote Similarity NPD7199 Phase 2
0.6646 Remote Similarity NPD2358 Clinical (unspecified phase)
0.6646 Remote Similarity NPD3866 Clinical (unspecified phase)
0.6645 Remote Similarity NPD7037 Approved
0.6645 Remote Similarity NPD6653 Approved
0.6645 Remote Similarity NPD2808 Discontinued
0.6645 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6644 Remote Similarity NPD3164 Approved
0.6644 Remote Similarity NPD3165 Approved
0.6644 Remote Similarity NPD3136 Phase 2
0.6644 Remote Similarity NPD3166 Approved
0.6644 Remote Similarity NPD1024 Discontinued

Structure

External Identifiers

PubChem CID   44445530
ChEMBL   CHEMBL254179
ZINC  

Physicochemical Properties

Molecular Weight:  331.14
ALogP:  0.7449
MLogP:  2.78
XLogP:  3.487
# Rotatable Bonds:  11
Polar Surface Area:  77.35
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  24

Download Data

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Biological Activities  
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