Natural Product: NPC293164

Natural Product ID:  NPC293164
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H41NO4
Standard InCHIKey:  UKJXAQYJWFBJPH-RUEKRIFFSA-N
Standard InCHI:  InChI=1S/C34H41NO4/c1-15-11-16(2)24-22(12-15)25-19(5)28-18(4)17(3)14-34(28,6)29-27(25)31(24)39-21-9-7-20(8-10-21)13-23-26(30(29)36)33(38)35-32(23)37/h7-10,14-16,18,22-27,29,31H,11-13H2,1-6H3,(H,35,37,38)/t15-,16+,18-,22-,23-,24-,25-,26+,27+,29+,31-,34-/m0/s1
Canonical SMILES:  C[C@H]1C[C@@H](C)[C@H]2[C@H](C1)[C@H]1[C@H]3[C@H]2Oc2ccc(cc2)C[C@H]2[C@H](C(=O)[C@@H]3[C@@]3(C(=C1C)[C@@H](C)C(=C3)C)C)C(=O)N=C2O
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
NPO32615 phoma sp. nrrl 46751 Species Didymellaceae Eukaryota PMID[24079882]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 33600 nM 18183025
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 41.1 ug/ml PubChem BioAssay data set
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 20.1 ug/ml 17724159

  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 NPC293164 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 NPC471394
0.9161 High Similarity NPC67080
0.8805 High Similarity NPC71205
0.8571 High Similarity NPC471396
0.8545 High Similarity NPC88378
0.8545 High Similarity NPC211713
0.8372 Intermediate Similarity NPC471395
0.7564 Intermediate Similarity NPC169766
0.747 Intermediate Similarity NPC253591
0.7381 Intermediate Similarity NPC261659
0.7317 Intermediate Similarity NPC470273
0.7267 Intermediate Similarity NPC194847
0.7267 Intermediate Similarity NPC21797
0.7202 Intermediate Similarity NPC93666
0.717 Intermediate Similarity NPC470392
0.7134 Intermediate Similarity NPC221134
0.7099 Intermediate Similarity NPC106606
0.7073 Intermediate Similarity NPC234548
0.7073 Intermediate Similarity NPC248287
0.707 Intermediate Similarity NPC269598
0.7052 Intermediate Similarity NPC25351
0.7051 Intermediate Similarity NPC75432
0.7041 Intermediate Similarity NPC476336
0.7035 Intermediate Similarity NPC246164
0.7035 Intermediate Similarity NPC56635
0.7024 Intermediate Similarity NPC132771
0.7024 Intermediate Similarity NPC185456
0.7024 Intermediate Similarity NPC247221
0.7024 Intermediate Similarity NPC56731
0.7019 Intermediate Similarity NPC132308
0.7018 Intermediate Similarity NPC146014
0.7012 Intermediate Similarity NPC150712
0.7012 Intermediate Similarity NPC98804
0.7011 Intermediate Similarity NPC206061
0.7 Intermediate Similarity NPC475102
0.7 Intermediate Similarity NPC471860
0.7 Intermediate Similarity NPC471859
0.6994 Remote Similarity NPC471863
0.6994 Remote Similarity NPC105942
0.6994 Remote Similarity NPC87363
0.6994 Remote Similarity NPC252343
0.6994 Remote Similarity NPC205392
0.6982 Remote Similarity NPC324081
0.6971 Remote Similarity NPC476750
0.697 Remote Similarity NPC265335
0.6964 Remote Similarity NPC327623
0.6959 Remote Similarity NPC146388
0.6951 Remote Similarity NPC474610
0.6951 Remote Similarity NPC471316
0.6949 Remote Similarity NPC471003
0.6944 Remote Similarity NPC476751
0.6941 Remote Similarity NPC302987
0.6937 Remote Similarity NPC288290
0.6936 Remote Similarity NPC212699
0.6936 Remote Similarity NPC207675
0.6928 Remote Similarity NPC76312
0.6923 Remote Similarity NPC280717
0.6923 Remote Similarity NPC271607
0.6919 Remote Similarity NPC196846
0.6918 Remote Similarity NPC30491
0.6918 Remote Similarity NPC262936
0.6914 Remote Similarity NPC251549
0.691 Remote Similarity NPC470936
0.6901 Remote Similarity NPC478163
0.6899 Remote Similarity NPC137416
0.689 Remote Similarity NPC173569
0.689 Remote Similarity NPC477874
0.6886 Remote Similarity NPC155552
0.6886 Remote Similarity NPC51181
0.6883 Remote Similarity NPC31296
0.6883 Remote Similarity NPC258366
0.6883 Remote Similarity NPC473974
0.6883 Remote Similarity NPC79933
0.6879 Remote Similarity NPC140133
0.6871 Remote Similarity NPC470871
0.6871 Remote Similarity NPC203486
0.6869 Remote Similarity NPC293347
0.6867 Remote Similarity NPC202260
0.6864 Remote Similarity NPC313414
0.6864 Remote Similarity NPC474599
0.686 Remote Similarity NPC234494
0.686 Remote Similarity NPC478189
0.686 Remote Similarity NPC470998
0.6859 Remote Similarity NPC308709
0.6857 Remote Similarity NPC471203
0.6853 Remote Similarity NPC79130
0.6852 Remote Similarity NPC125153
0.6848 Remote Similarity NPC249817
0.6848 Remote Similarity NPC195972
0.6842 Remote Similarity NPC273798
0.6842 Remote Similarity NPC476359
0.6842 Remote Similarity NPC476338
0.6842 Remote Similarity NPC470274
0.6842 Remote Similarity NPC471174
0.6839 Remote Similarity NPC263835
0.6839 Remote Similarity NPC51543
0.6839 Remote Similarity NPC93343
0.6839 Remote Similarity NPC190501
0.6839 Remote Similarity NPC318552
0.6839 Remote Similarity NPC470996
0.6836 Remote Similarity NPC472823
0.6836 Remote Similarity NPC84349
0.6833 Remote Similarity NPC327694
0.6829 Remote Similarity NPC196708
0.6829 Remote Similarity NPC194970
0.6829 Remote Similarity NPC471864
0.6826 Remote Similarity NPC79372
0.6826 Remote Similarity NPC56197
0.6824 Remote Similarity NPC19862
0.6824 Remote Similarity NPC235195
0.6821 Remote Similarity NPC237441
0.6821 Remote Similarity NPC470997
0.6818 Remote Similarity NPC159692
0.6818 Remote Similarity NPC478159
0.6818 Remote Similarity NPC478161
0.6816 Remote Similarity NPC186617
0.6816 Remote Similarity NPC471858
0.6815 Remote Similarity NPC152946
0.6813 Remote Similarity NPC477115
0.681 Remote Similarity NPC471006
0.681 Remote Similarity NPC165612
0.6809 Remote Similarity NPC124626
0.6807 Remote Similarity NPC22676
0.6807 Remote Similarity NPC216940
0.6807 Remote Similarity NPC475482
0.6807 Remote Similarity NPC198621
0.6807 Remote Similarity NPC119542
0.6805 Remote Similarity NPC475578
0.6805 Remote Similarity NPC472564
0.6805 Remote Similarity NPC247298
0.6802 Remote Similarity NPC95990
0.68 Remote Similarity NPC287757
0.68 Remote Similarity NPC44606
0.68 Remote Similarity NPC319320
0.6798 Remote Similarity NPC254700
0.6797 Remote Similarity NPC33900
0.6796 Remote Similarity NPC318472
0.6796 Remote Similarity NPC310572
0.679 Remote Similarity NPC249425
0.6786 Remote Similarity NPC323601
0.6786 Remote Similarity NPC29599
0.6784 Remote Similarity NPC8102
0.6784 Remote Similarity NPC470999
0.6784 Remote Similarity NPC66894
0.6784 Remote Similarity NPC471292
0.6782 Remote Similarity NPC118033
0.6782 Remote Similarity NPC475311
0.6782 Remote Similarity NPC178048
0.6782 Remote Similarity NPC272590
0.6782 Remote Similarity NPC475454
0.6782 Remote Similarity NPC473680
0.6782 Remote Similarity NPC473579
0.678 Remote Similarity NPC469507
0.6778 Remote Similarity NPC473693
0.6778 Remote Similarity NPC326278
0.6778 Remote Similarity NPC471850
0.6778 Remote Similarity NPC471568
0.6776 Remote Similarity NPC475237
0.6776 Remote Similarity NPC475641
0.6772 Remote Similarity NPC283207
0.6766 Remote Similarity NPC307883
0.6766 Remote Similarity NPC83289
0.6766 Remote Similarity NPC212850
0.6766 Remote Similarity NPC189724
0.6765 Remote Similarity NPC238843
0.6765 Remote Similarity NPC251372
0.6765 Remote Similarity NPC209085
0.6765 Remote Similarity NPC199044
0.6765 Remote Similarity NPC224884
0.6763 Remote Similarity NPC132810
0.6763 Remote Similarity NPC46549
0.6763 Remote Similarity NPC264229
0.6763 Remote Similarity NPC279442
0.6761 Remote Similarity NPC155939
0.6761 Remote Similarity NPC141538
0.6761 Remote Similarity NPC305710
0.6761 Remote Similarity NPC296807
0.676 Remote Similarity NPC473502
0.6757 Remote Similarity NPC473467
0.6757 Remote Similarity NPC475197
0.6755 Remote Similarity NPC4910
0.6748 Remote Similarity NPC258073
0.6748 Remote Similarity NPC328070
0.6748 Remote Similarity NPC471953
0.6747 Remote Similarity NPC471670
0.6747 Remote Similarity NPC243893
0.6747 Remote Similarity NPC471201
0.6747 Remote Similarity NPC322526
0.6747 Remote Similarity NPC262324
0.6746 Remote Similarity NPC263337
0.6746 Remote Similarity NPC472410
0.6744 Remote Similarity NPC472936
0.6744 Remote Similarity NPC472937
0.6744 Remote Similarity NPC472938
0.6744 Remote Similarity NPC216755
0.6744 Remote Similarity NPC470019
0.6744 Remote Similarity NPC286038
0.6743 Remote Similarity NPC33938
0.6743 Remote Similarity NPC48671
0.6743 Remote Similarity NPC473773

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC293164 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
0.7468 Intermediate Similarity NPD2157 Approved
0.7453 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD8032 Phase 2
0.7358 Intermediate Similarity NPD6353 Approved
0.7356 Intermediate Similarity NPD7315 Approved
0.7342 Intermediate Similarity NPD4140 Approved
0.7329 Intermediate Similarity NPD2161 Phase 2
0.732 Intermediate Similarity NPD5327 Phase 3
0.7317 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD5735 Approved
0.7278 Intermediate Similarity NPD3058 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD4110 Phase 3
0.7246 Intermediate Similarity NPD6273 Approved
0.717 Intermediate Similarity NPD6663 Approved
0.7152 Intermediate Similarity NPD6331 Phase 2
0.7117 Intermediate Similarity NPD5712 Approved
0.7081 Intermediate Similarity NPD6355 Discontinued
0.7076 Intermediate Similarity NPD7028 Phase 2
0.7055 Intermediate Similarity NPD3846 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD3655 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5736 Approved
0.7017 Intermediate Similarity NPD5557 Phase 1
0.7006 Intermediate Similarity NPD8127 Discontinued
0.6981 Remote Similarity NPD2614 Approved
0.6962 Remote Similarity NPD4624 Approved
0.6954 Remote Similarity NPD7972 Discontinued
0.6948 Remote Similarity NPD2932 Approved
0.6941 Remote Similarity NPD4319 Phase 2
0.6927 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6919 Remote Similarity NPD5811 Approved
0.6918 Remote Similarity NPD1712 Approved
0.6909 Remote Similarity NPD4476 Approved
0.6909 Remote Similarity NPD4477 Approved
0.6906 Remote Similarity NPD3909 Discontinued
0.6901 Remote Similarity NPD7131 Phase 3
0.6882 Remote Similarity NPD7020 Approved
0.6882 Remote Similarity NPD7019 Approved
0.6879 Remote Similarity NPD6502 Phase 2
0.6867 Remote Similarity NPD5762 Approved
0.6867 Remote Similarity NPD5763 Approved
0.6857 Remote Similarity NPD5929 Approved
0.6855 Remote Similarity NPD5647 Approved
0.6848 Remote Similarity NPD4108 Discontinued
0.6842 Remote Similarity NPD6390 Discontinued
0.6839 Remote Similarity NPD3019 Approved
0.6836 Remote Similarity NPD7833 Phase 2
0.6836 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6836 Remote Similarity NPD7831 Phase 2
0.6835 Remote Similarity NPD1876 Approved
0.6829 Remote Similarity NPD4097 Suspended
0.6802 Remote Similarity NPD5699 Approved
0.6802 Remote Similarity NPD7427 Discontinued
0.678 Remote Similarity NPD7773 Phase 2
0.6778 Remote Similarity NPD7608 Discontinued
0.6772 Remote Similarity NPD1669 Approved
0.6766 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6766 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6766 Remote Similarity NPD6005 Phase 3
0.6766 Remote Similarity NPD6002 Phase 3
0.6766 Remote Similarity NPD6004 Phase 3
0.6755 Remote Similarity NPD821 Approved
0.6748 Remote Similarity NPD7477 Discontinued
0.6746 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6744 Remote Similarity NPD1975 Clinical (unspecified phase)
0.6743 Remote Similarity NPD6677 Suspended
0.6743 Remote Similarity NPD7193 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6971 Discontinued
0.6726 Remote Similarity NPD2424 Discontinued
0.672 Remote Similarity NPD7693 Approved
0.6707 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6707 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6707 Remote Similarity NPD3620 Phase 2
0.6705 Remote Similarity NPD7577 Discontinued
0.6704 Remote Similarity NPD6315 Phase 2
0.6688 Remote Similarity NPD3026 Approved
0.6688 Remote Similarity NPD3023 Approved
0.6687 Remote Similarity NPD6362 Approved
0.6687 Remote Similarity NPD6798 Discontinued
0.6686 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3025 Approved
0.6667 Remote Similarity NPD3685 Discontinued
0.6667 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3024 Approved
0.6667 Remote Similarity NPD1651 Approved
0.6667 Remote Similarity NPD5761 Phase 2
0.6667 Remote Similarity NPD5760 Phase 2
0.6649 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6647 Remote Similarity NPD4628 Phase 3
0.6647 Remote Similarity NPD2799 Discontinued
0.6647 Remote Similarity NPD52 Approved
0.6647 Remote Similarity NPD7526 Approved
0.6647 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6647 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6647 Remote Similarity NPD8166 Discontinued
0.663 Remote Similarity NPD6620 Discovery
0.6629 Remote Similarity NPD5967 Approved
0.6628 Remote Similarity NPD4357 Discontinued
0.6627 Remote Similarity NPD6653 Approved
0.6626 Remote Similarity NPD7095 Approved
0.6625 Remote Similarity NPD1283 Approved
0.6624 Remote Similarity NPD3095 Discontinued
0.6624 Remote Similarity NPD2667 Approved
0.6624 Remote Similarity NPD2668 Approved
0.6623 Remote Similarity NPD7157 Approved
0.6611 Remote Similarity NPD6862 Phase 2
0.661 Remote Similarity NPD5714 Approved
0.661 Remote Similarity NPD7248 Discontinued
0.6607 Remote Similarity NPD6100 Approved
0.6607 Remote Similarity NPD6099 Approved
0.6606 Remote Similarity NPD2979 Phase 3
0.6606 Remote Similarity NPD3142 Approved
0.6606 Remote Similarity NPD3140 Approved
0.6604 Remote Similarity NPD3972 Approved
0.6603 Remote Similarity NPD3091 Approved
0.6601 Remote Similarity NPD1241 Discontinued
0.659 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6588 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6587 Remote Similarity NPD7097 Phase 1
0.6585 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6582 Remote Similarity NPD3847 Discontinued
0.657 Remote Similarity NPD6667 Approved
0.657 Remote Similarity NPD6666 Approved
0.6566 Remote Similarity NPD4618 Approved
0.6566 Remote Similarity NPD4622 Approved
0.6566 Remote Similarity NPD3657 Discovery
0.6562 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6554 Remote Similarity NPD6072 Discontinued
0.6545 Remote Similarity NPD6233 Phase 2
0.6541 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6529 Remote Similarity NPD7037 Approved
0.6529 Remote Similarity NPD5958 Discontinued
0.6529 Remote Similarity NPD4534 Discontinued
0.6527 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6524 Remote Similarity NPD3823 Discontinued
0.6522 Remote Similarity NPD8651 Approved
0.6522 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6519 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6517 Remote Similarity NPD6844 Discontinued
0.6509 Remote Similarity NPD2438 Suspended
0.6503 Remote Similarity NPD2861 Phase 2
0.6497 Remote Similarity NPD5617 Suspended
0.6497 Remote Similarity NPD1894 Discontinued
0.6497 Remote Similarity NPD5713 Approved
0.6489 Remote Similarity NPD6764 Approved
0.6489 Remote Similarity NPD6765 Approved
0.6488 Remote Similarity NPD5689 Approved
0.6488 Remote Similarity NPD5688 Approved
0.6488 Remote Similarity NPD696 Discontinued
0.6485 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6485 Remote Similarity NPD7294 Phase 1
0.6485 Remote Similarity NPD3268 Approved
0.6481 Remote Similarity NPD2797 Approved
0.6477 Remote Similarity NPD2490 Approved
0.6477 Remote Similarity NPD6504 Approved
0.6477 Remote Similarity NPD6505 Approved
0.6477 Remote Similarity NPD2488 Approved
0.6474 Remote Similarity NPD7236 Approved
0.6471 Remote Similarity NPD5865 Clinical (unspecified phase)
0.6468 Remote Similarity NPD8161 Suspended
0.646 Remote Similarity NPD6583 Phase 3
0.646 Remote Similarity NPD6582 Phase 2
0.6457 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6456 Remote Similarity NPD5585 Approved
0.6455 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6453 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6453 Remote Similarity NPD7003 Approved
0.645 Remote Similarity NPD7497 Discontinued
0.6448 Remote Similarity NPD7484 Phase 3
0.6448 Remote Similarity NPD7485 Phase 3
0.6446 Remote Similarity NPD4062 Phase 3
0.6446 Remote Similarity NPD7265 Discontinued
0.6446 Remote Similarity NPD4870 Approved
0.6444 Remote Similarity NPD5978 Approved
0.6444 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6444 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6444 Remote Similarity NPD7318 Phase 3
0.6444 Remote Similarity NPD5977 Approved
0.6442 Remote Similarity NPD6584 Phase 3
0.6441 Remote Similarity NPD7458 Discontinued
0.6438 Remote Similarity NPD3092 Approved
0.6438 Remote Similarity NPD1281 Approved
0.6433 Remote Similarity NPD2897 Discontinued
0.6433 Remote Similarity NPD7153 Discontinued
0.6429 Remote Similarity NPD7843 Approved
0.6425 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6424 Remote Similarity NPD5163 Phase 2
0.6421 Remote Similarity NPD2968 Approved
0.6421 Remote Similarity NPD2971 Approved
0.6421 Remote Similarity NPD7546 Discontinued
0.6412 Remote Similarity NPD6032 Approved
0.6407 Remote Similarity NPD4060 Phase 1
0.6402 Remote Similarity NPD8014 Clinical (unspecified phase)
0.64 Remote Similarity NPD681 Clinical (unspecified phase)
0.6398 Remote Similarity NPD1608 Approved
0.6398 Remote Similarity NPD2231 Phase 2
0.6398 Remote Similarity NPD2233 Approved
0.6398 Remote Similarity NPD2235 Phase 2
0.6398 Remote Similarity NPD2232 Approved

Structure

External Identifiers

PubChem CID   72702682
ChEMBL   CHEMBL2431659
ZINC  

Physicochemical Properties

Molecular Weight:  527.30
ALogP:  0.2201
MLogP:  4.65
XLogP:  7.21
# Rotatable Bonds:  7
Polar Surface Area:  75.96
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  39

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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