Natural Product: NPC320824

Natural Product ID:  NPC320824
Common Name:   Eurysterol A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H46O7S.Na
Standard InCHIKey:  NPTYMHRTUPEDPI-WQTFAPJPSA-M
Standard InCHI:  InChI=1S/C27H46O7S.Na/c1-17(2)6-5-7-18(3)20-8-9-21-24(20,4)12-11-22-25-13-10-19(34-35(30,31)32)14-27(25,29)23(28)15-26(21,22)33-16-25;/h17-23,28-29H,5-16H2,1-4H3,(H,30,31,32);/q;+1/p-1/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+;/m1./s1
Canonical SMILES:  CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]32OC[C@]21CC[C@@H](C[C@@]2([C@@H](C3)O)O)OS(=O)(=O)[O-])C)C.[Na+]
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
NPO31393 Euryspongia Genus Dysideidae Eukaryota PMID[17378608]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT20 Organism Candida albicans Candida albicans MIC = 15.6 ug/ml 17378608
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 2.9 ug/ml 17378608

  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 NPC320824 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
0.9114 High Similarity NPC477282
0.9114 High Similarity NPC81074
0.8902 High Similarity NPC478054
0.8861 High Similarity NPC474574
0.8861 High Similarity NPC64081
0.8861 High Similarity NPC11907
0.8861 High Similarity NPC133596
0.8846 High Similarity NPC158208
0.8846 High Similarity NPC196136
0.8846 High Similarity NPC243027
0.8765 High Similarity NPC16449
0.875 High Similarity NPC147993
0.8718 High Similarity NPC228994
0.8718 High Similarity NPC10476
0.8718 High Similarity NPC192501
0.8667 High Similarity NPC316604
0.8625 High Similarity NPC192046
0.8625 High Similarity NPC302578
0.8625 High Similarity NPC477227
0.8625 High Similarity NPC105208
0.8625 High Similarity NPC128951
0.8608 High Similarity NPC270306
0.8608 High Similarity NPC91387
0.8608 High Similarity NPC231680
0.8588 High Similarity NPC155531
0.8588 High Similarity NPC215968
0.8554 High Similarity NPC154043
0.8554 High Similarity NPC475388
0.8554 High Similarity NPC60018
0.8554 High Similarity NPC202688
0.8519 High Similarity NPC67657
0.8519 High Similarity NPC18857
0.85 High Similarity NPC477602
0.85 High Similarity NPC473916
0.85 High Similarity NPC163597
0.85 High Similarity NPC477601
0.8481 Intermediate Similarity NPC470151
0.8471 Intermediate Similarity NPC266651
0.8462 Intermediate Similarity NPC1340
0.8462 Intermediate Similarity NPC470071
0.8462 Intermediate Similarity NPC187471
0.8462 Intermediate Similarity NPC252182
0.8395 Intermediate Similarity NPC185915
0.8391 Intermediate Similarity NPC473436
0.8391 Intermediate Similarity NPC128475
0.8375 Intermediate Similarity NPC317242
0.8372 Intermediate Similarity NPC477283
0.837 Intermediate Similarity NPC473638
0.8293 Intermediate Similarity NPC471769
0.8276 Intermediate Similarity NPC161928
0.8276 Intermediate Similarity NPC210658
0.8256 Intermediate Similarity NPC273290
0.8256 Intermediate Similarity NPC232044
0.825 Intermediate Similarity NPC304499
0.8235 Intermediate Similarity NPC111582
0.8235 Intermediate Similarity NPC470070
0.8235 Intermediate Similarity NPC477285
0.8205 Intermediate Similarity NPC66407
0.8205 Intermediate Similarity NPC470833
0.8205 Intermediate Similarity NPC107919
0.8193 Intermediate Similarity NPC269333
0.8193 Intermediate Similarity NPC287452
0.8191 Intermediate Similarity NPC477225
0.8171 Intermediate Similarity NPC476233
0.8161 Intermediate Similarity NPC471240
0.8152 Intermediate Similarity NPC473287
0.8148 Intermediate Similarity NPC472952
0.8148 Intermediate Similarity NPC472950
0.814 Intermediate Similarity NPC227260
0.8132 Intermediate Similarity NPC3538
0.8132 Intermediate Similarity NPC473503
0.8132 Intermediate Similarity NPC477224
0.8132 Intermediate Similarity NPC113500
0.8125 Intermediate Similarity NPC470610
0.8125 Intermediate Similarity NPC153719
0.8118 Intermediate Similarity NPC477447
0.8118 Intermediate Similarity NPC470155
0.8118 Intermediate Similarity NPC477286
0.8118 Intermediate Similarity NPC477446
0.8118 Intermediate Similarity NPC470611
0.8118 Intermediate Similarity NPC286719
0.809 Intermediate Similarity NPC20822
0.809 Intermediate Similarity NPC82955
0.8068 Intermediate Similarity NPC5943
0.8068 Intermediate Similarity NPC477600
0.8046 Intermediate Similarity NPC290612
0.8043 Intermediate Similarity NPC469710
0.8025 Intermediate Similarity NPC48795
0.8025 Intermediate Similarity NPC475458
0.8023 Intermediate Similarity NPC85095
0.8023 Intermediate Similarity NPC211135
0.8023 Intermediate Similarity NPC216420
0.8022 Intermediate Similarity NPC256104
0.8022 Intermediate Similarity NPC211845
0.8022 Intermediate Similarity NPC182740
0.8022 Intermediate Similarity NPC476669
0.8022 Intermediate Similarity NPC167644
0.8022 Intermediate Similarity NPC311246
0.8022 Intermediate Similarity NPC122083
0.8 Intermediate Similarity NPC477821
0.8 Intermediate Similarity NPC477823
0.8 Intermediate Similarity NPC190940
0.8 Intermediate Similarity NPC131506
0.8 Intermediate Similarity NPC470154
0.8 Intermediate Similarity NPC109457
0.8 Intermediate Similarity NPC473552
0.8 Intermediate Similarity NPC157422
0.8 Intermediate Similarity NPC470156
0.8 Intermediate Similarity NPC477822
0.8 Intermediate Similarity NPC323900
0.8 Intermediate Similarity NPC478103
0.8 Intermediate Similarity NPC100586
0.8 Intermediate Similarity NPC157777
0.8 Intermediate Similarity NPC324984
0.8 Intermediate Similarity NPC127094
0.7979 Intermediate Similarity NPC473616
0.7955 Intermediate Similarity NPC131365
0.7935 Intermediate Similarity NPC475325
0.7912 Intermediate Similarity NPC210759
0.7912 Intermediate Similarity NPC473066
0.7912 Intermediate Similarity NPC307167
0.7912 Intermediate Similarity NPC473637
0.7912 Intermediate Similarity NPC149966
0.7912 Intermediate Similarity NPC293609
0.7912 Intermediate Similarity NPC219516
0.7912 Intermediate Similarity NPC229801
0.7912 Intermediate Similarity NPC5632
0.7912 Intermediate Similarity NPC476668
0.7907 Intermediate Similarity NPC477284
0.7907 Intermediate Similarity NPC296734
0.7889 Intermediate Similarity NPC228059
0.7875 Intermediate Similarity NPC282454
0.7875 Intermediate Similarity NPC232925
0.7875 Intermediate Similarity NPC192192
0.7875 Intermediate Similarity NPC251201
0.7875 Intermediate Similarity NPC231945
0.7875 Intermediate Similarity NPC63588
0.7872 Intermediate Similarity NPC477223
0.7872 Intermediate Similarity NPC477222
0.7865 Intermediate Similarity NPC62202
0.7865 Intermediate Similarity NPC43912
0.7865 Intermediate Similarity NPC213658
0.7865 Intermediate Similarity NPC110365
0.7865 Intermediate Similarity NPC45833
0.7865 Intermediate Similarity NPC140446
0.7849 Intermediate Similarity NPC477494
0.7831 Intermediate Similarity NPC470145
0.7826 Intermediate Similarity NPC277774
0.7816 Intermediate Similarity NPC241959
0.7805 Intermediate Similarity NPC478130
0.7802 Intermediate Similarity NPC473542
0.7802 Intermediate Similarity NPC279329
0.7791 Intermediate Similarity NPC73515
0.7778 Intermediate Similarity NPC56777
0.7778 Intermediate Similarity NPC201607
0.7766 Intermediate Similarity NPC116683
0.7765 Intermediate Similarity NPC477287
0.7765 Intermediate Similarity NPC476176
0.7753 Intermediate Similarity NPC121981
0.7753 Intermediate Similarity NPC114378
0.7753 Intermediate Similarity NPC103782
0.7753 Intermediate Similarity NPC80700
0.775 Intermediate Similarity NPC241085
0.775 Intermediate Similarity NPC477820
0.775 Intermediate Similarity NPC129829
0.775 Intermediate Similarity NPC254037
0.775 Intermediate Similarity NPC299948
0.775 Intermediate Similarity NPC470830
0.7742 Intermediate Similarity NPC24960
0.7742 Intermediate Similarity NPC30687
0.7742 Intermediate Similarity NPC305418
0.7742 Intermediate Similarity NPC175
0.7742 Intermediate Similarity NPC473774
0.7742 Intermediate Similarity NPC45959
0.7742 Intermediate Similarity NPC252253
0.7732 Intermediate Similarity NPC68630
0.7732 Intermediate Similarity NPC52585
0.7732 Intermediate Similarity NPC228049
0.7727 Intermediate Similarity NPC86238
0.7717 Intermediate Similarity NPC36372
0.7717 Intermediate Similarity NPC59006
0.7692 Intermediate Similarity NPC131466
0.7692 Intermediate Similarity NPC473472
0.7692 Intermediate Similarity NPC61688
0.7692 Intermediate Similarity NPC472946
0.7684 Intermediate Similarity NPC474994
0.7684 Intermediate Similarity NPC476040
0.7684 Intermediate Similarity NPC476021
0.7683 Intermediate Similarity NPC472341
0.7683 Intermediate Similarity NPC253805
0.7683 Intermediate Similarity NPC473238
0.7674 Intermediate Similarity NPC186588
0.7674 Intermediate Similarity NPC474714
0.7674 Intermediate Similarity NPC472943
0.7674 Intermediate Similarity NPC248944
0.7674 Intermediate Similarity NPC472951
0.7674 Intermediate Similarity NPC117137
0.7674 Intermediate Similarity NPC66766
0.7674 Intermediate Similarity NPC7479
0.7674 Intermediate Similarity NPC257296

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC320824 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
0.8205 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD6928 Phase 2
0.7447 Intermediate Similarity NPD8171 Discontinued
0.7125 Intermediate Similarity NPD371 Approved
0.7045 Intermediate Similarity NPD6697 Approved
0.7045 Intermediate Similarity NPD6115 Approved
0.7045 Intermediate Similarity NPD6118 Approved
0.7045 Intermediate Similarity NPD6114 Approved
0.7024 Intermediate Similarity NPD4787 Phase 1
0.6932 Remote Similarity NPD6116 Phase 1
0.6889 Remote Similarity NPD7525 Registered
0.6818 Remote Similarity NPD6117 Approved
0.6744 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6744 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6731 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6705 Remote Similarity NPD3703 Phase 2
0.6701 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6700 Approved
0.6633 Remote Similarity NPD6702 Approved
0.6633 Remote Similarity NPD6703 Approved
0.6628 Remote Similarity NPD7532 Clinical (unspecified phase)
0.66 Remote Similarity NPD7991 Discontinued
0.6591 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7524 Approved
0.6549 Remote Similarity NPD7516 Approved
0.6512 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6512 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6484 Remote Similarity NPD5364 Discontinued
0.646 Remote Similarity NPD7328 Approved
0.646 Remote Similarity NPD7327 Approved
0.6442 Remote Similarity NPD1700 Approved
0.6421 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6395 Remote Similarity NPD5360 Phase 3
0.6395 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6695 Phase 3
0.625 Remote Similarity NPD4244 Approved
0.625 Remote Similarity NPD4245 Approved
0.625 Remote Similarity NPD4789 Approved
0.6239 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6222 Remote Similarity NPD1811 Approved
0.6222 Remote Similarity NPD1810 Approved
0.6182 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6154 Remote Similarity NPD8380 Approved
0.6154 Remote Similarity NPD8335 Approved
0.6154 Remote Similarity NPD8379 Approved
0.6154 Remote Similarity NPD8378 Approved
0.6154 Remote Similarity NPD8296 Approved
0.6139 Remote Similarity NPD8035 Phase 2
0.6139 Remote Similarity NPD8034 Phase 2
0.6136 Remote Similarity NPD3698 Phase 2
0.6122 Remote Similarity NPD8308 Discontinued
0.6095 Remote Similarity NPD7638 Approved
0.6068 Remote Similarity NPD8377 Approved
0.6068 Remote Similarity NPD8294 Approved
0.6064 Remote Similarity NPD7645 Phase 2
0.6061 Remote Similarity NPD7750 Discontinued
0.6047 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6038 Remote Similarity NPD7640 Approved
0.6038 Remote Similarity NPD7639 Approved
0.602 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6017 Remote Similarity NPD8033 Approved
0.6 Remote Similarity NPD7920 Phase 3
0.6 Remote Similarity NPD7919 Phase 3
0.6 Remote Similarity NPD4758 Discontinued
0.6 Remote Similarity NPD6930 Phase 2
0.6 Remote Similarity NPD6931 Approved
0.5981 Remote Similarity NPD4159 Approved
0.5978 Remote Similarity NPD6942 Approved
0.5978 Remote Similarity NPD3702 Approved
0.5978 Remote Similarity NPD7339 Approved
0.5965 Remote Similarity NPD8133 Approved
0.5957 Remote Similarity NPD3671 Phase 1
0.5943 Remote Similarity NPD8088 Phase 1
0.5932 Remote Similarity NPD6059 Approved
0.5932 Remote Similarity NPD6054 Approved
0.5926 Remote Similarity NPD7632 Discontinued
0.5914 Remote Similarity NPD6933 Approved
0.5895 Remote Similarity NPD6929 Approved
0.5889 Remote Similarity NPD2687 Approved
0.5889 Remote Similarity NPD2254 Approved
0.5889 Remote Similarity NPD2686 Approved
0.5862 Remote Similarity NPD6940 Discontinued
0.5851 Remote Similarity NPD6932 Approved
0.5843 Remote Similarity NPD6705 Phase 1
0.5841 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6370 Approved
0.5833 Remote Similarity NPD4748 Discontinued
0.5825 Remote Similarity NPD7087 Discontinued
0.5824 Remote Similarity NPD5777 Approved
0.5824 Remote Similarity NPD6081 Approved
0.582 Remote Similarity NPD7507 Approved
0.5806 Remote Similarity NPD7319 Approved
0.5804 Remote Similarity NPD7320 Approved
0.5804 Remote Similarity NPD8174 Phase 2
0.5766 Remote Similarity NPD7128 Approved
0.5766 Remote Similarity NPD5739 Approved
0.5766 Remote Similarity NPD6402 Approved
0.5766 Remote Similarity NPD6675 Approved
0.5752 Remote Similarity NPD8132 Clinical (unspecified phase)
0.575 Remote Similarity NPD6016 Approved
0.575 Remote Similarity NPD6015 Approved
0.5745 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5743 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5741 Remote Similarity NPD8418 Phase 2
0.5738 Remote Similarity NPD7492 Approved
0.5729 Remote Similarity NPD6683 Phase 2
0.5726 Remote Similarity NPD7736 Approved
0.5714 Remote Similarity NPD6412 Phase 2
0.5702 Remote Similarity NPD5988 Approved
0.5702 Remote Similarity NPD4634 Approved
0.5701 Remote Similarity NPD4755 Approved
0.57 Remote Similarity NPD6893 Approved
0.5699 Remote Similarity NPD6924 Approved
0.5699 Remote Similarity NPD6926 Approved
0.5691 Remote Similarity NPD6616 Approved
0.569 Remote Similarity NPD4632 Approved
0.5684 Remote Similarity NPD5776 Phase 2
0.5684 Remote Similarity NPD6925 Approved
0.567 Remote Similarity NPD7514 Phase 3
0.5667 Remote Similarity NPD6319 Approved
0.5664 Remote Similarity NPD6881 Approved
0.5664 Remote Similarity NPD6899 Approved
0.5657 Remote Similarity NPD4788 Approved
0.5657 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5657 Remote Similarity NPD3669 Approved
0.5645 Remote Similarity NPD8293 Discontinued
0.5645 Remote Similarity NPD7078 Approved
0.5631 Remote Similarity NPD5328 Approved
0.5625 Remote Similarity NPD6008 Approved
0.5625 Remote Similarity NPD7145 Approved
0.562 Remote Similarity NPD7503 Approved
0.562 Remote Similarity NPD6921 Approved
0.5619 Remote Similarity NPD6399 Phase 3
0.5619 Remote Similarity NPD4202 Approved
0.5618 Remote Similarity NPD4224 Phase 2
0.5614 Remote Similarity NPD6373 Approved
0.5614 Remote Similarity NPD6372 Approved
0.5603 Remote Similarity NPD8297 Approved
0.56 Remote Similarity NPD4786 Approved

Structure

External Identifiers

PubChem CID   23706901
ChEMBL   CHEMBL226607
ZINC  

Physicochemical Properties

Molecular Weight:  513.29
ALogP:  -1.0768
MLogP:  3.55
XLogP:  5.841
# Rotatable Bonds:  14
Polar Surface Area:  124.5
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  35

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