Natural Product: NPC473178

Natural Product ID:  NPC473178
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C41H33N3O3
Standard InCHIKey:  PROBSTZXQUASOB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C41H33N3O3/c1-45-43-38-13-7-4-10-31(38)34-21-27(15-19-40(34)43)24-42-36-12-6-3-9-30(36)33-22-28(16-18-37(33)42)25-47-26-29-17-20-41-35(23-29)32-11-5-8-14-39(32)44(41)46-2/h3-23H,24-26H2,1-2H3
Canonical SMILES:  COn1c2ccc(cc2c2c1cccc2)COCc1ccc2c(c1)c1ccccc1n2Cc1ccc2c(c1)c1ccccc1n2OC
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
NPO33199 murraya tetramera Species Rutaceae Eukaryota PMID[26327273]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition < 20 % 17336522

  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 NPC473178 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
0.9593 High Similarity NPC473177
0.9181 High Similarity NPC56618
0.882 High Similarity NPC473189
0.7861 Intermediate Similarity NPC94157
0.7854 Intermediate Similarity NPC477533
0.7784 Intermediate Similarity NPC211997
0.773 Intermediate Similarity NPC134586
0.7681 Intermediate Similarity NPC132642
0.7606 Intermediate Similarity NPC475253
0.75 Intermediate Similarity NPC126066
0.7473 Intermediate Similarity NPC158129
0.7393 Intermediate Similarity NPC477532
0.7383 Intermediate Similarity NPC473185
0.7377 Intermediate Similarity NPC81229
0.7377 Intermediate Similarity NPC255229
0.7376 Intermediate Similarity NPC475774
0.7371 Intermediate Similarity NPC98371
0.7371 Intermediate Similarity NPC313884
0.733 Intermediate Similarity NPC199667
0.7323 Intermediate Similarity NPC195314
0.7313 Intermediate Similarity NPC11017
0.7287 Intermediate Similarity NPC126492
0.7282 Intermediate Similarity NPC473181
0.7263 Intermediate Similarity NPC472122
0.7263 Intermediate Similarity NPC24594
0.726 Intermediate Similarity NPC39370
0.726 Intermediate Similarity NPC473180
0.7248 Intermediate Similarity NPC473186
0.7246 Intermediate Similarity NPC475422
0.724 Intermediate Similarity NPC187827
0.724 Intermediate Similarity NPC472105
0.7238 Intermediate Similarity NPC36405
0.7198 Intermediate Similarity NPC469589
0.7196 Intermediate Similarity NPC162748
0.7196 Intermediate Similarity NPC469312
0.7196 Intermediate Similarity NPC41318
0.7182 Intermediate Similarity NPC473184
0.7165 Intermediate Similarity NPC472104
0.7157 Intermediate Similarity NPC193761
0.715 Intermediate Similarity NPC470931
0.715 Intermediate Similarity NPC87755
0.7143 Intermediate Similarity NPC160381
0.7136 Intermediate Similarity NPC473179
0.7136 Intermediate Similarity NPC472111
0.7135 Intermediate Similarity NPC326575
0.7129 Intermediate Similarity NPC72211
0.7129 Intermediate Similarity NPC208284
0.7129 Intermediate Similarity NPC102008
0.7128 Intermediate Similarity NPC472119
0.7123 Intermediate Similarity NPC477531
0.7117 Intermediate Similarity NPC473183
0.711 Intermediate Similarity NPC252251
0.7104 Intermediate Similarity NPC263937
0.7104 Intermediate Similarity NPC94428
0.7098 Intermediate Similarity NPC6093
0.7094 Intermediate Similarity NPC32200
0.7087 Intermediate Similarity NPC285558
0.7081 Intermediate Similarity NPC290689
0.7078 Intermediate Similarity NPC209174
0.7077 Intermediate Similarity NPC472110
0.7077 Intermediate Similarity NPC472109
0.7075 Intermediate Similarity NPC170114
0.7075 Intermediate Similarity NPC183407
0.7075 Intermediate Similarity NPC472027
0.7074 Intermediate Similarity NPC470508
0.7071 Intermediate Similarity NPC46413
0.7068 Intermediate Similarity NPC34508
0.7067 Intermediate Similarity NPC314957
0.7065 Intermediate Similarity NPC205934
0.7065 Intermediate Similarity NPC43787
0.7064 Intermediate Similarity NPC183426
0.7062 Intermediate Similarity NPC473757
0.7059 Intermediate Similarity NPC329747
0.7059 Intermediate Similarity NPC16667
0.7047 Intermediate Similarity NPC59269
0.7044 Intermediate Similarity NPC67288
0.7043 Intermediate Similarity NPC67056
0.7041 Intermediate Similarity NPC284678
0.703 Intermediate Similarity NPC70259
0.703 Intermediate Similarity NPC245916
0.7028 Intermediate Similarity NPC470549
0.7024 Intermediate Similarity NPC267423
0.7021 Intermediate Similarity NPC469541
0.7019 Intermediate Similarity NPC477065
0.7018 Intermediate Similarity NPC227908
0.7015 Intermediate Similarity NPC198673
0.7014 Intermediate Similarity NPC472098
0.701 Intermediate Similarity NPC133261
0.7005 Intermediate Similarity NPC79062
0.7005 Intermediate Similarity NPC472107
0.7 Intermediate Similarity NPC472097
0.6995 Remote Similarity NPC243834
0.6995 Remote Similarity NPC84347
0.6995 Remote Similarity NPC70956
0.699 Remote Similarity NPC19679
0.699 Remote Similarity NPC472444
0.6989 Remote Similarity NPC216643
0.6981 Remote Similarity NPC475602
0.6976 Remote Similarity NPC329793
0.6974 Remote Similarity NPC469734
0.6971 Remote Similarity NPC474145
0.6971 Remote Similarity NPC476106
0.6971 Remote Similarity NPC475841
0.697 Remote Similarity NPC66210
0.6966 Remote Similarity NPC104483
0.6963 Remote Similarity NPC280548
0.6961 Remote Similarity NPC168911
0.6957 Remote Similarity NPC162484
0.6955 Remote Similarity NPC314954
0.6954 Remote Similarity NPC258480
0.6954 Remote Similarity NPC472294
0.6943 Remote Similarity NPC189812
0.6943 Remote Similarity NPC329688
0.6942 Remote Similarity NPC476044
0.6935 Remote Similarity NPC51054
0.6934 Remote Similarity NPC264176
0.6923 Remote Similarity NPC472443
0.6923 Remote Similarity NPC270009
0.6919 Remote Similarity NPC167860
0.6919 Remote Similarity NPC123976
0.6919 Remote Similarity NPC15102
0.6919 Remote Similarity NPC62510
0.6912 Remote Similarity NPC232130
0.6911 Remote Similarity NPC317430
0.6908 Remote Similarity NPC291535
0.6908 Remote Similarity NPC475085
0.6908 Remote Similarity NPC475112
0.6906 Remote Similarity NPC180504
0.6905 Remote Similarity NPC475910
0.6904 Remote Similarity NPC472108
0.6904 Remote Similarity NPC139291
0.6904 Remote Similarity NPC176127
0.6903 Remote Similarity NPC477861
0.69 Remote Similarity NPC34271
0.69 Remote Similarity NPC242928
0.6898 Remote Similarity NPC26850
0.6898 Remote Similarity NPC129721
0.6897 Remote Similarity NPC131017
0.6892 Remote Similarity NPC315062
0.6891 Remote Similarity NPC472123
0.6891 Remote Similarity NPC471294
0.6888 Remote Similarity NPC15840
0.6884 Remote Similarity NPC477715
0.6882 Remote Similarity NPC207726
0.6881 Remote Similarity NPC55493
0.6878 Remote Similarity NPC239954
0.6878 Remote Similarity NPC253580
0.6878 Remote Similarity NPC33949
0.6875 Remote Similarity NPC316411
0.6872 Remote Similarity NPC477066
0.6872 Remote Similarity NPC234987
0.6869 Remote Similarity NPC190007
0.6869 Remote Similarity NPC84478
0.6867 Remote Similarity NPC329982
0.6866 Remote Similarity NPC95783
0.6864 Remote Similarity NPC202503
0.6862 Remote Similarity NPC92796
0.6862 Remote Similarity NPC135141
0.6856 Remote Similarity NPC472586
0.6854 Remote Similarity NPC294620
0.6853 Remote Similarity NPC192270
0.6852 Remote Similarity NPC477714
0.6845 Remote Similarity NPC141353
0.6845 Remote Similarity NPC128823
0.6845 Remote Similarity NPC285469
0.6842 Remote Similarity NPC8104
0.6842 Remote Similarity NPC478081
0.6842 Remote Similarity NPC311276
0.684 Remote Similarity NPC471304
0.6837 Remote Similarity NPC88363
0.6835 Remote Similarity NPC471506
0.6834 Remote Similarity NPC282103
0.6834 Remote Similarity NPC94943
0.6833 Remote Similarity NPC470126
0.6833 Remote Similarity NPC475258
0.6832 Remote Similarity NPC92111
0.683 Remote Similarity NPC141053
0.6829 Remote Similarity NPC267928
0.6827 Remote Similarity NPC52801
0.6827 Remote Similarity NPC295898
0.6826 Remote Similarity NPC475666
0.6825 Remote Similarity NPC229173
0.6825 Remote Similarity NPC82548
0.6823 Remote Similarity NPC63751
0.6822 Remote Similarity NPC471080
0.6822 Remote Similarity NPC149471
0.6822 Remote Similarity NPC469592
0.6822 Remote Similarity NPC271215
0.6821 Remote Similarity NPC150048
0.6821 Remote Similarity NPC203754
0.6818 Remote Similarity NPC143533
0.6816 Remote Similarity NPC267853
0.6808 Remote Similarity NPC82370
0.6806 Remote Similarity NPC304926
0.6806 Remote Similarity NPC476041
0.68 Remote Similarity NPC277351
0.68 Remote Similarity NPC474707
0.6794 Remote Similarity NPC223427
0.6792 Remote Similarity NPC201697
0.6792 Remote Similarity NPC174758

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473178 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
0.7819 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD6281 Approved
0.7617 Intermediate Similarity NPD5913 Phase 3
0.7617 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD6455 Phase 3
0.7539 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7525 Intermediate Similarity NPD7222 Phase 2
0.7524 Intermediate Similarity NPD6995 Phase 1
0.7512 Intermediate Similarity NPD6717 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD7688 Phase 1
0.7438 Intermediate Similarity NPD7452 Approved
0.7438 Intermediate Similarity NPD7453 Approved
0.743 Intermediate Similarity NPD6476 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD6158 Phase 2
0.7423 Intermediate Similarity NPD6965 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD1326 Approved
0.7419 Intermediate Similarity NPD1325 Approved
0.7371 Intermediate Similarity NPD6976 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD7678 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2882 Phase 1
0.733 Intermediate Similarity NPD6452 Discontinued
0.7304 Intermediate Similarity NPD8403 Phase 1
0.7302 Intermediate Similarity NPD6978 Phase 2
0.7302 Intermediate Similarity NPD6977 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD7935 Phase 2
0.7268 Intermediate Similarity NPD6227 Discontinued
0.7268 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD8396 Approved
0.7264 Intermediate Similarity NPD8395 Approved
0.7263 Intermediate Similarity NPD6375 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD4418 Discontinued
0.7206 Intermediate Similarity NPD4886 Phase 2
0.7181 Intermediate Similarity NPD5021 Discontinued
0.715 Intermediate Similarity NPD7671 Approved
0.715 Intermediate Similarity NPD7672 Approved
0.715 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD7001 Phase 3
0.7129 Intermediate Similarity NPD7778 Approved
0.7129 Intermediate Similarity NPD7889 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD7777 Approved
0.7129 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD53 Approved
0.7113 Intermediate Similarity NPD4204 Approved
0.7113 Intermediate Similarity NPD4203 Approved
0.7107 Intermediate Similarity NPD8431 Approved
0.7094 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD6999 Discontinued
0.7081 Intermediate Similarity NPD2582 Approved
0.7081 Intermediate Similarity NPD2581 Approved
0.708 Intermediate Similarity NPD7921 Approved
0.7069 Intermediate Similarity NPD3385 Approved
0.7067 Intermediate Similarity NPD7666 Phase 3
0.7067 Intermediate Similarity NPD7770 Phase 3
0.7067 Intermediate Similarity NPD7665 Phase 2
0.7062 Intermediate Similarity NPD6595 Phase 3
0.7053 Intermediate Similarity NPD6732 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7470 Discontinued
0.7035 Intermediate Similarity NPD8063 Discontinued
0.703 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD5934 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD4852 Phase 2
0.701 Intermediate Similarity NPD6661 Clinical (unspecified phase)
0.699 Remote Similarity NPD5522 Clinical (unspecified phase)
0.6978 Remote Similarity NPD4547 Phase 3
0.6971 Remote Similarity NPD5530 Phase 1
0.6959 Remote Similarity NPD6203 Clinical (unspecified phase)
0.6955 Remote Similarity NPD7555 Discontinued
0.6952 Remote Similarity NPD2125 Clinical (unspecified phase)
0.6948 Remote Similarity NPD7073 Clinical (unspecified phase)
0.6948 Remote Similarity NPD6140 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6492 Phase 2
0.6943 Remote Similarity NPD5065 Approved
0.6935 Remote Similarity NPD4948 Discontinued
0.6935 Remote Similarity NPD6141 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8386 Phase 2
0.6923 Remote Similarity NPD5426 Phase 3
0.6912 Remote Similarity NPD5003 Discontinued
0.6912 Remote Similarity NPD7948 Phase 1
0.6911 Remote Similarity NPD4640 Approved
0.6911 Remote Similarity NPD4639 Approved
0.6911 Remote Similarity NPD4638 Approved
0.6911 Remote Similarity NPD5862 Discovery
0.6905 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6902 Remote Similarity NPD4462 Approved
0.6902 Remote Similarity NPD4463 Approved
0.6898 Remote Similarity NPD4326 Phase 2
0.6897 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6251 Discontinued
0.6897 Remote Similarity NPD7944 Discontinued
0.6895 Remote Similarity NPD4550 Clinical (unspecified phase)
0.6895 Remote Similarity NPD7719 Discontinued
0.6883 Remote Similarity NPD7769 Phase 3
0.6881 Remote Similarity NPD3404 Approved
0.6875 Remote Similarity NPD6991 Approved
0.6872 Remote Similarity NPD6159 Phase 2
0.6872 Remote Similarity NPD2144 Approved
0.6854 Remote Similarity NPD8093 Discontinued
0.6854 Remote Similarity NPD6554 Approved
0.6854 Remote Similarity NPD45 Approved
0.6853 Remote Similarity NPD7867 Phase 1
0.685 Remote Similarity NPD2383 Phase 1
0.6842 Remote Similarity NPD3397 Phase 2
0.6842 Remote Similarity NPD5901 Discontinued
0.6839 Remote Similarity NPD3654 Approved
0.6831 Remote Similarity NPD1683 Approved
0.6825 Remote Similarity NPD5658 Approved
0.6822 Remote Similarity NPD8094 Discontinued
0.6821 Remote Similarity NPD5100 Phase 3
0.6821 Remote Similarity NPD5104 Approved
0.6811 Remote Similarity NPD3833 Phase 3
0.6811 Remote Similarity NPD3835 Phase 3
0.681 Remote Similarity NPD4901 Clinical (unspecified phase)
0.681 Remote Similarity NPD7958 Clinical (unspecified phase)
0.681 Remote Similarity NPD3003 Approved
0.681 Remote Similarity NPD7957 Phase 1
0.6806 Remote Similarity NPD2915 Discontinued
0.6802 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6791 Remote Similarity NPD5903 Approved
0.6791 Remote Similarity NPD5902 Approved
0.6786 Remote Similarity NPD3503 Approved
0.6786 Remote Similarity NPD3504 Approved
0.6782 Remote Similarity NPD2565 Phase 2
0.6782 Remote Similarity NPD2564 Approved
0.678 Remote Similarity NPD6550 Discontinued
0.6771 Remote Similarity NPD6969 Phase 2
0.6771 Remote Similarity NPD6968 Phase 2
0.6768 Remote Similarity NPD3038 Discontinued
0.6765 Remote Similarity NPD1038 Approved
0.6765 Remote Similarity NPD1304 Clinical (unspecified phase)
0.6762 Remote Similarity NPD3947 Discontinued
0.6758 Remote Similarity NPD4637 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7994 Phase 2
0.6756 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6752 Remote Similarity NPD7659 Discontinued
0.6748 Remote Similarity NPD6769 Clinical (unspecified phase)
0.6746 Remote Similarity NPD6975 Discontinued
0.6746 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6746 Remote Similarity NPD5023 Discontinued
0.6745 Remote Similarity NPD2509 Approved
0.6745 Remote Similarity NPD2510 Approved
0.6744 Remote Similarity NPD8488 Clinical (unspecified phase)
0.6743 Remote Similarity NPD3763 Approved
0.6736 Remote Similarity NPD5069 Clinical (unspecified phase)
0.6735 Remote Similarity NPD2381 Approved
0.6735 Remote Similarity NPD2380 Approved
0.6735 Remote Similarity NPD2382 Approved
0.673 Remote Similarity NPD6150 Discontinued
0.6727 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6726 Remote Similarity NPD7767 Approved
0.6716 Remote Similarity NPD6569 Phase 2
0.6701 Remote Similarity NPD4184 Clinical (unspecified phase)
0.67 Remote Similarity NPD5083 Clinical (unspecified phase)
0.67 Remote Similarity NPD4957 Phase 2
0.6699 Remote Similarity NPD6307 Clinical (unspecified phase)
0.6698 Remote Similarity NPD3330 Phase 1
0.6698 Remote Similarity NPD8458 Clinical (unspecified phase)
0.6697 Remote Similarity NPD7878 Phase 2
0.6696 Remote Similarity NPD5891 Approved
0.6696 Remote Similarity NPD7567 Approved
0.6683 Remote Similarity NPD5575 Clinical (unspecified phase)
0.6683 Remote Similarity NPD3825 Phase 3
0.6683 Remote Similarity NPD7414 Clinical (unspecified phase)
0.6682 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6987 Phase 1
0.6681 Remote Similarity NPD8016 Phase 3
0.6681 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1078 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3920 Phase 2
0.6667 Remote Similarity NPD5075 Discontinued
0.6667 Remote Similarity NPD3875 Discontinued
0.6667 Remote Similarity NPD5140 Approved
0.6667 Remote Similarity NPD3402 Phase 1
0.6667 Remote Similarity NPD5138 Approved
0.6667 Remote Similarity NPD7194 Discontinued
0.6652 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6652 Remote Similarity NPD8358 Approved
0.6651 Remote Similarity NPD6220 Phase 3
0.665 Remote Similarity NPD6491 Clinical (unspecified phase)
0.665 Remote Similarity NPD5596 Phase 2
0.6649 Remote Similarity NPD687 Clinical (unspecified phase)
0.6634 Remote Similarity NPD3924 Approved
0.6634 Remote Similarity NPD3921 Approved
0.6634 Remote Similarity NPD3923 Approved
0.6634 Remote Similarity NPD3922 Approved
0.6633 Remote Similarity NPD2077 Approved
0.6633 Remote Similarity NPD5897 Approved
0.6633 Remote Similarity NPD2076 Approved
0.6633 Remote Similarity NPD5899 Approved
0.6633 Remote Similarity NPD5898 Approved
0.6632 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6632 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6632 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6631 Remote Similarity NPD2172 Phase 1
0.663 Remote Similarity NPD5254 Discontinued
0.6622 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6621 Remote Similarity NPD6985 Discontinued
0.662 Remote Similarity NPD3816 Phase 1

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3633074
ZINC  

Physicochemical Properties

Molecular Weight:  615.25
ALogP:  -0.1833
MLogP:  5.31
XLogP:  10.189
# Rotatable Bonds:  10
Polar Surface Area:  42.48
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  9
# Heavy Atoms:  47

Download Data

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