Natural Product: NPC471736

Natural Product ID:  NPC471736
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C17H16N2O6
Standard InCHIKey:  FVOWQABXUMZLHH-VZEFYGNVSA-N
Standard InCHI:  InChI=1S/C17H16N2O6/c20-7-12-15(22)16(23)17(25-12)24-11-6-2-4-9-14(11)19-8-3-1-5-10(21)13(8)18-9/h1-6,12,15-17,20-23H,7H2/t12-,15-,16+,17+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)Oc1cccc2c1nc1cccc(c1n2)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
NPO33034 nannocystis pusilla Species Nannocystaceae Bacteria PMID[24460410]
NPO25252 Nannocystis exedens Species Nannocystaceae Bacteria PMID[24460410]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC = 33.3 ug/ml 24949913
NPT4585 Organism Mycobacterium diernhoferi Mycobacterium diernhoferi MIC = 66.6 ug/ml 25710081

  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 NPC471736 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
0.9365 High Similarity NPC308392
0.8865 High Similarity NPC110741
0.8541 High Similarity NPC118776
0.8251 Intermediate Similarity NPC1527
0.8165 Intermediate Similarity NPC291609
0.8132 Intermediate Similarity NPC79911
0.8119 Intermediate Similarity NPC124300
0.8077 Intermediate Similarity NPC120798
0.8009 Intermediate Similarity NPC310618
0.7884 Intermediate Similarity NPC95898
0.7822 Intermediate Similarity NPC470586
0.7688 Intermediate Similarity NPC285635
0.7684 Intermediate Similarity NPC258773
0.7614 Intermediate Similarity NPC314573
0.7536 Intermediate Similarity NPC203168
0.7514 Intermediate Similarity NPC36168
0.7441 Intermediate Similarity NPC219664
0.7434 Intermediate Similarity NPC99891
0.743 Intermediate Similarity NPC288349
0.7412 Intermediate Similarity NPC472434
0.7389 Intermediate Similarity NPC79293
0.7389 Intermediate Similarity NPC226202
0.7389 Intermediate Similarity NPC279401
0.736 Intermediate Similarity NPC478023
0.7327 Intermediate Similarity NPC148409
0.7299 Intermediate Similarity NPC474595
0.7281 Intermediate Similarity NPC197141
0.7273 Intermediate Similarity NPC66815
0.725 Intermediate Similarity NPC227824
0.7214 Intermediate Similarity NPC42591
0.7161 Intermediate Similarity NPC472435
0.715 Intermediate Similarity NPC219963
0.7097 Intermediate Similarity NPC474594
0.7085 Intermediate Similarity NPC283152
0.7079 Intermediate Similarity NPC62069
0.7071 Intermediate Similarity NPC472436
0.707 Intermediate Similarity NPC469589
0.7035 Intermediate Similarity NPC194724
0.698 Remote Similarity NPC161887
0.698 Remote Similarity NPC266551
0.6978 Remote Similarity NPC200888
0.6968 Remote Similarity NPC469594
0.6967 Remote Similarity NPC18487
0.6961 Remote Similarity NPC20249
0.6955 Remote Similarity NPC470799
0.6955 Remote Similarity NPC8022
0.6943 Remote Similarity NPC70549
0.6941 Remote Similarity NPC471080
0.6941 Remote Similarity NPC469592
0.6931 Remote Similarity NPC478032
0.6927 Remote Similarity NPC204385
0.6915 Remote Similarity NPC470395
0.6912 Remote Similarity NPC320394
0.6912 Remote Similarity NPC209769
0.6898 Remote Similarity NPC470404
0.6898 Remote Similarity NPC470403
0.6898 Remote Similarity NPC470394
0.6895 Remote Similarity NPC244856
0.6887 Remote Similarity NPC128823
0.6866 Remote Similarity NPC288943
0.6852 Remote Similarity NPC472111
0.6852 Remote Similarity NPC476106
0.6837 Remote Similarity NPC223427
0.682 Remote Similarity NPC473800
0.6818 Remote Similarity NPC26679
0.6814 Remote Similarity NPC206201
0.6812 Remote Similarity NPC66083
0.6806 Remote Similarity NPC164374
0.6806 Remote Similarity NPC137929
0.6804 Remote Similarity NPC112766
0.6787 Remote Similarity NPC250448
0.6787 Remote Similarity NPC306644
0.6787 Remote Similarity NPC236424
0.6786 Remote Similarity NPC473179
0.6778 Remote Similarity NPC165964
0.6774 Remote Similarity NPC304183
0.6774 Remote Similarity NPC475841
0.6774 Remote Similarity NPC474145
0.6769 Remote Similarity NPC476997
0.6757 Remote Similarity NPC274842
0.6756 Remote Similarity NPC128115
0.6753 Remote Similarity NPC469554
0.6739 Remote Similarity NPC476998
0.6739 Remote Similarity NPC476996
0.6728 Remote Similarity NPC470930
0.6725 Remote Similarity NPC110151
0.6717 Remote Similarity NPC118511
0.6714 Remote Similarity NPC474188
0.6714 Remote Similarity NPC469390
0.6714 Remote Similarity NPC267928
0.6713 Remote Similarity NPC291535
0.6713 Remote Similarity NPC475085
0.6713 Remote Similarity NPC475112
0.6712 Remote Similarity NPC470931
0.6696 Remote Similarity NPC476994
0.6684 Remote Similarity NPC26850
0.6682 Remote Similarity NPC185782
0.6682 Remote Similarity NPC153452
0.6667 Remote Similarity NPC220560
0.6667 Remote Similarity NPC57453
0.6653 Remote Similarity NPC58209
0.6652 Remote Similarity NPC473182
0.6649 Remote Similarity NPC153769
0.6637 Remote Similarity NPC193267
0.6637 Remote Similarity NPC213530
0.6637 Remote Similarity NPC476287
0.6636 Remote Similarity NPC243834
0.6636 Remote Similarity NPC70956
0.6634 Remote Similarity NPC121658
0.6634 Remote Similarity NPC14651
0.6625 Remote Similarity NPC472068
0.6618 Remote Similarity NPC290069
0.6608 Remote Similarity NPC132642
0.6606 Remote Similarity NPC476138
0.6606 Remote Similarity NPC469440
0.6606 Remote Similarity NPC245816
0.6606 Remote Similarity NPC475774
0.6603 Remote Similarity NPC61350
0.6584 Remote Similarity NPC476518
0.658 Remote Similarity NPC473185
0.6579 Remote Similarity NPC90019
0.6577 Remote Similarity NPC5145
0.657 Remote Similarity NPC472031
0.657 Remote Similarity NPC472067
0.657 Remote Similarity NPC472066
0.657 Remote Similarity NPC314394
0.6569 Remote Similarity NPC160100
0.6568 Remote Similarity NPC476995
0.6568 Remote Similarity NPC473183
0.6564 Remote Similarity NPC284348
0.656 Remote Similarity NPC135887
0.656 Remote Similarity NPC199277
0.6553 Remote Similarity NPC473184
0.6548 Remote Similarity NPC101312
0.6544 Remote Similarity NPC19872
0.6538 Remote Similarity NPC101543
0.6537 Remote Similarity NPC202503
0.6531 Remote Similarity NPC26872
0.6528 Remote Similarity NPC72211
0.6526 Remote Similarity NPC114335
0.6526 Remote Similarity NPC280964
0.6526 Remote Similarity NPC141915
0.6522 Remote Similarity NPC473987
0.652 Remote Similarity NPC473822
0.652 Remote Similarity NPC173080
0.6518 Remote Similarity NPC296482
0.6518 Remote Similarity NPC202768
0.6518 Remote Similarity NPC53069
0.6515 Remote Similarity NPC116573
0.6507 Remote Similarity NPC477532
0.6507 Remote Similarity NPC310118
0.65 Remote Similarity NPC477805
0.65 Remote Similarity NPC470500
0.65 Remote Similarity NPC477796
0.65 Remote Similarity NPC477795
0.65 Remote Similarity NPC177404
0.65 Remote Similarity NPC208364
0.65 Remote Similarity NPC477806
0.6495 Remote Similarity NPC475190
0.6494 Remote Similarity NPC212766
0.6494 Remote Similarity NPC289423
0.6488 Remote Similarity NPC312872
0.6486 Remote Similarity NPC475910
0.6486 Remote Similarity NPC287208
0.6485 Remote Similarity NPC475844
0.6484 Remote Similarity NPC311357
0.6478 Remote Similarity NPC258048
0.6477 Remote Similarity NPC473769
0.6476 Remote Similarity NPC314552
0.6473 Remote Similarity NPC472168
0.6468 Remote Similarity NPC234197
0.6462 Remote Similarity NPC242928
0.6456 Remote Similarity NPC286195
0.6455 Remote Similarity NPC317572
0.6452 Remote Similarity NPC192315
0.645 Remote Similarity NPC25899
0.645 Remote Similarity NPC205372
0.6444 Remote Similarity NPC48353
0.6444 Remote Similarity NPC112206
0.6444 Remote Similarity NPC96405
0.6444 Remote Similarity NPC171409
0.6444 Remote Similarity NPC202605
0.6443 Remote Similarity NPC220523
0.6443 Remote Similarity NPC161292
0.6441 Remote Similarity NPC313189
0.6439 Remote Similarity NPC111624
0.6438 Remote Similarity NPC232727
0.6435 Remote Similarity NPC70259
0.6429 Remote Similarity NPC123976
0.6429 Remote Similarity NPC167860
0.6429 Remote Similarity NPC184680
0.6422 Remote Similarity NPC97746
0.6422 Remote Similarity NPC187558
0.6422 Remote Similarity NPC179287
0.6422 Remote Similarity NPC476167
0.6419 Remote Similarity NPC84853
0.6419 Remote Similarity NPC289786
0.6418 Remote Similarity NPC48192
0.6411 Remote Similarity NPC474798
0.641 Remote Similarity NPC257142

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471736 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
0.7387 Intermediate Similarity NPD7284 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD8116 Phase 3
0.71 Intermediate Similarity NPD8117 Approved
0.7098 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD2772 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD2314 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD7194 Discontinued
0.7089 Intermediate Similarity NPD3003 Approved
0.7064 Intermediate Similarity NPD5903 Approved
0.7064 Intermediate Similarity NPD5902 Approved
0.7059 Intermediate Similarity NPD6393 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD4502 Phase 2
0.6986 Remote Similarity NPD774 Phase 3
0.6968 Remote Similarity NPD6985 Discontinued
0.6967 Remote Similarity NPD1768 Approved
0.6952 Remote Similarity NPD1622 Discontinued
0.6949 Remote Similarity NPD8324 Phase 2
0.6943 Remote Similarity NPD7558 Phase 2
0.6909 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6905 Remote Similarity NPD6550 Discontinued
0.6898 Remote Similarity NPD7222 Phase 2
0.6897 Remote Similarity NPD4203 Approved
0.6897 Remote Similarity NPD4204 Approved
0.6878 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6866 Remote Similarity NPD5863 Clinical (unspecified phase)
0.6861 Remote Similarity NPD3875 Discontinued
0.6857 Remote Similarity NPD6590 Discontinued
0.6849 Remote Similarity NPD2540 Clinical (unspecified phase)
0.6849 Remote Similarity NPD4131 Phase 3
0.6845 Remote Similarity NPD5256 Discontinued
0.6825 Remote Similarity NPD5512 Phase 3
0.68 Remote Similarity NPD6298 Discontinued
0.6774 Remote Similarity NPD5530 Phase 1
0.6769 Remote Similarity NPD8104 Phase 3
0.6762 Remote Similarity NPD4372 Phase 1
0.6756 Remote Similarity NPD5930 Phase 3
0.6754 Remote Similarity NPD7676 Clinical (unspecified phase)
0.6754 Remote Similarity NPD7426 Phase 1
0.6754 Remote Similarity NPD7674 Phase 3
0.6754 Remote Similarity NPD7675 Phase 3
0.6743 Remote Similarity NPD7452 Approved
0.6743 Remote Similarity NPD7453 Approved
0.6743 Remote Similarity NPD1392 Approved
0.6731 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6731 Remote Similarity NPD1034 Phase 3
0.6696 Remote Similarity NPD1744 Approved
0.6695 Remote Similarity NPD3838 Phase 3
0.6682 Remote Similarity NPD6569 Phase 2
0.6681 Remote Similarity NPD5640 Discontinued
0.6667 Remote Similarity NPD4724 Clinical (unspecified phase)
0.6667 Remote Similarity NPD565 Phase 2
0.6667 Remote Similarity NPD6290 Phase 2
0.6652 Remote Similarity NPD6494 Phase 2
0.6638 Remote Similarity NPD6246 Approved
0.6636 Remote Similarity NPD6988 Phase 1
0.6622 Remote Similarity NPD3570 Phase 2
0.6621 Remote Similarity NPD3842 Clinical (unspecified phase)
0.6621 Remote Similarity NPD4305 Clinical (unspecified phase)
0.662 Remote Similarity NPD6491 Clinical (unspecified phase)
0.6606 Remote Similarity NPD6669 Phase 2
0.6597 Remote Similarity NPD6716 Phase 1
0.6594 Remote Similarity NPD6306 Phase 2
0.6593 Remote Similarity NPD5632 Approved
0.6593 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6581 Remote Similarity NPD4080 Discontinued
0.6579 Remote Similarity NPD7726 Phase 1
0.6578 Remote Similarity NPD5612 Discontinued
0.657 Remote Similarity NPD5482 Discontinued
0.6568 Remote Similarity NPD4368 Phase 2
0.6567 Remote Similarity NPD1505 Phase 2
0.6564 Remote Similarity NPD2785 Clinical (unspecified phase)
0.6561 Remote Similarity NPD5658 Approved
0.6558 Remote Similarity NPD6769 Clinical (unspecified phase)
0.6557 Remote Similarity NPD8370 Discontinued
0.6553 Remote Similarity NPD3074 Discontinued
0.655 Remote Similarity NPD861 Approved
0.655 Remote Similarity NPD863 Approved
0.655 Remote Similarity NPD862 Approved
0.6547 Remote Similarity NPD5416 Discontinued
0.6543 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6537 Remote Similarity NPD1603 Discontinued
0.6531 Remote Similarity NPD789 Phase 2
0.6528 Remote Similarity NPD772 Phase 3
0.6524 Remote Similarity NPD8512 Phase 3
0.6518 Remote Similarity NPD3815 Phase 1
0.6518 Remote Similarity NPD3816 Phase 1
0.6518 Remote Similarity NPD4927 Discontinued
0.6512 Remote Similarity NPD3477 Phase 2
0.6512 Remote Similarity NPD3478 Clinical (unspecified phase)
0.6509 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6505 Remote Similarity NPD6159 Phase 2
0.6504 Remote Similarity NPD5101 Discontinued
0.6483 Remote Similarity NPD2951 Discontinued
0.6476 Remote Similarity NPD5164 Discontinued
0.6476 Remote Similarity NPD5059 Clinical (unspecified phase)
0.6473 Remote Similarity NPD3370 Clinical (unspecified phase)
0.6473 Remote Similarity NPD5067 Phase 2
0.6473 Remote Similarity NPD7703 Clinical (unspecified phase)
0.6473 Remote Similarity NPD3920 Phase 2
0.6473 Remote Similarity NPD5066 Phase 2
0.6465 Remote Similarity NPD1602 Discontinued
0.6465 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6462 Remote Similarity NPD4021 Phase 2
0.6446 Remote Similarity NPD8359 Phase 2
0.6444 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6441 Remote Similarity NPD5429 Discontinued
0.6437 Remote Similarity NPD8244 Phase 2
0.6434 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6432 Remote Similarity NPD8510 Clinical (unspecified phase)
0.6432 Remote Similarity NPD7068 Approved
0.6432 Remote Similarity NPD6643 Discontinued
0.6432 Remote Similarity NPD7067 Approved
0.6426 Remote Similarity NPD6962 Phase 2
0.6422 Remote Similarity NPD5547 Clinical (unspecified phase)
0.6422 Remote Similarity NPD2176 Approved
0.6422 Remote Similarity NPD2177 Approved
0.6422 Remote Similarity NPD2175 Phase 3
0.6416 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6416 Remote Similarity NPD3945 Discontinued
0.6416 Remote Similarity NPD5944 Phase 1
0.6416 Remote Similarity NPD5945 Phase 1
0.6408 Remote Similarity NPD5875 Approved
0.6408 Remote Similarity NPD5878 Approved
0.6407 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6407 Remote Similarity NPD6736 Discontinued
0.6407 Remote Similarity NPD1856 Discontinued
0.6406 Remote Similarity NPD4605 Approved
0.6406 Remote Similarity NPD4604 Approved
0.6406 Remote Similarity NPD2476 Clinical (unspecified phase)
0.64 Remote Similarity NPD5939 Approved
0.64 Remote Similarity NPD6220 Phase 3
0.64 Remote Similarity NPD5936 Approved
0.64 Remote Similarity NPD3939 Suspended
0.6397 Remote Similarity NPD8442 Discontinued
0.6395 Remote Similarity NPD1273 Discontinued
0.6393 Remote Similarity NPD1740 Approved
0.6393 Remote Similarity NPD1838 Clinical (unspecified phase)
0.6393 Remote Similarity NPD1739 Approved
0.639 Remote Similarity NPD7022 Phase 2
0.6388 Remote Similarity NPD4667 Clinical (unspecified phase)
0.6388 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6387 Remote Similarity NPD4454 Phase 2
0.6383 Remote Similarity NPD4898 Clinical (unspecified phase)
0.6382 Remote Similarity NPD6743 Phase 2
0.6382 Remote Similarity NPD6742 Phase 2
0.6379 Remote Similarity NPD983 Clinical (unspecified phase)
0.6377 Remote Similarity NPD4498 Clinical (unspecified phase)
0.6376 Remote Similarity NPD7395 Discontinued
0.6376 Remote Similarity NPD6877 Discontinued
0.6372 Remote Similarity NPD7069 Discontinued
0.6371 Remote Similarity NPD8255 Phase 2
0.6364 Remote Similarity NPD1941 Approved
0.6359 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6356 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6356 Remote Similarity NPD5420 Discontinued
0.6355 Remote Similarity NPD8063 Discontinued
0.6351 Remote Similarity NPD4035 Approved
0.6351 Remote Similarity NPD4034 Approved
0.6351 Remote Similarity NPD4795 Phase 2
0.6351 Remote Similarity NPD31 Approved
0.6351 Remote Similarity NPD4038 Approved
0.6351 Remote Similarity NPD4036 Approved
0.6351 Remote Similarity NPD4039 Approved
0.6351 Remote Similarity NPD4122 Approved
0.6351 Remote Similarity NPD4037 Approved
0.6351 Remote Similarity NPD32 Approved
0.6351 Remote Similarity NPD4033 Approved
0.6348 Remote Similarity NPD6974 Phase 3
0.6338 Remote Similarity NPD2383 Phase 1
0.6337 Remote Similarity NPD5483 Clinical (unspecified phase)
0.633 Remote Similarity NPD1229 Phase 2
0.6329 Remote Similarity NPD5938 Phase 3
0.6327 Remote Similarity NPD7468 Clinical (unspecified phase)
0.6325 Remote Similarity NPD3263 Phase 3
0.6324 Remote Similarity NPD3343 Phase 3
0.6324 Remote Similarity NPD5450 Discontinued
0.632 Remote Similarity NPD5850 Phase 3
0.632 Remote Similarity NPD7180 Phase 3
0.6318 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6318 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6318 Remote Similarity NPD3602 Clinical (unspecified phase)
0.6314 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6314 Remote Similarity NPD5022 Discontinued
0.6313 Remote Similarity NPD4418 Discontinued
0.6313 Remote Similarity NPD6251 Discontinued
0.6308 Remote Similarity NPD6814 Phase 3
0.6307 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6303 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6298 Remote Similarity NPD4086 Phase 1
0.6298 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6573 Phase 3
0.6296 Remote Similarity NPD6572 Phase 2
0.6293 Remote Similarity NPD4881 Clinical (unspecified phase)
0.6288 Remote Similarity NPD6147 Clinical (unspecified phase)
0.6286 Remote Similarity NPD3328 Phase 2
0.6281 Remote Similarity NPD7417 Discontinued
0.6279 Remote Similarity NPD5316 Approved
0.6278 Remote Similarity NPD3946 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3109318
ZINC  

Physicochemical Properties

Molecular Weight:  344.10
ALogP:  -2.1568
MLogP:  2.45
XLogP:  0.817
# Rotatable Bonds:  7
Polar Surface Area:  125.16
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  25

Download Data

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