Natural Product: NPC474060

Natural Product ID:  NPC474060
Common Name:   Mansonone S
IUPAC Name:   5-hydroxy-4,7-dimethyl-1-propan-2-yl-3,4-dihydronaphthalene-2,6-dione
Synonyms:   Mansonone S
Molecular Formula:   C15H18O3
Standard InCHIKey:  LAGZRKDQPWWRRT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H18O3/c1-7(2)12-10-5-9(4)14(17)15(18)13(10)8(3)6-11(12)16/h5,7-8,18H,6H2,1-4H3
Canonical SMILES:  CC1CC(=O)C(=C2C1=C(O)C(=O)C(=C2)C)C(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
NPO19367 Thespesia populnea Species Malvaceae Eukaryota PMID[18553924]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 > 5 ug/ml 10.6019/CHEMBL1201861
NPT165 Cell Line HeLa Homo sapiens IC50 > 5 ug/ml 18163584
NPT91 Cell Line KB Homo sapiens IC50 > 5 ug/ml 21885287
NPT139 Cell Line HT-29 Homo sapiens IC50 > 5 ug/ml 22552195

  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 NPC474060 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
0.8873 High Similarity NPC110725
0.8767 High Similarity NPC27817
0.8356 Intermediate Similarity NPC1254
0.8158 Intermediate Similarity NPC108955
0.8133 Intermediate Similarity NPC189485
0.8088 Intermediate Similarity NPC150162
0.8052 Intermediate Similarity NPC225515
0.8052 Intermediate Similarity NPC55869
0.7922 Intermediate Similarity NPC287063
0.7875 Intermediate Similarity NPC32037
0.7867 Intermediate Similarity NPC26504
0.7838 Intermediate Similarity NPC147438
0.7821 Intermediate Similarity NPC470034
0.7821 Intermediate Similarity NPC99308
0.7821 Intermediate Similarity NPC475863
0.7714 Intermediate Similarity NPC251118
0.7681 Intermediate Similarity NPC477830
0.7654 Intermediate Similarity NPC33881
0.7654 Intermediate Similarity NPC132228
0.7654 Intermediate Similarity NPC8518
0.7654 Intermediate Similarity NPC263997
0.7639 Intermediate Similarity NPC310992
0.7632 Intermediate Similarity NPC112680
0.7632 Intermediate Similarity NPC470525
0.7632 Intermediate Similarity NPC92080
0.7632 Intermediate Similarity NPC292589
0.76 Intermediate Similarity NPC122244
0.7561 Intermediate Similarity NPC203795
0.75 Intermediate Similarity NPC472304
0.75 Intermediate Similarity NPC276764
0.75 Intermediate Similarity NPC175079
0.75 Intermediate Similarity NPC103486
0.7468 Intermediate Similarity NPC74086
0.7439 Intermediate Similarity NPC6185
0.7439 Intermediate Similarity NPC241512
0.7439 Intermediate Similarity NPC470177
0.7436 Intermediate Similarity NPC74410
0.7436 Intermediate Similarity NPC207772
0.7436 Intermediate Similarity NPC30321
0.7429 Intermediate Similarity NPC288253
0.7429 Intermediate Similarity NPC143168
0.7429 Intermediate Similarity NPC53109
0.7424 Intermediate Similarity NPC297280
0.7407 Intermediate Similarity NPC105803
0.7407 Intermediate Similarity NPC53733
0.7403 Intermediate Similarity NPC186554
0.7403 Intermediate Similarity NPC76966
0.7397 Intermediate Similarity NPC87141
0.7397 Intermediate Similarity NPC188292
0.7397 Intermediate Similarity NPC260474
0.7385 Intermediate Similarity NPC268564
0.7375 Intermediate Similarity NPC121984
0.7375 Intermediate Similarity NPC474085
0.7375 Intermediate Similarity NPC275766
0.7368 Intermediate Similarity NPC213223
0.7353 Intermediate Similarity NPC281195
0.7353 Intermediate Similarity NPC320421
0.7333 Intermediate Similarity NPC474539
0.7324 Intermediate Similarity NPC4638
0.7324 Intermediate Similarity NPC7029
0.7308 Intermediate Similarity NPC283087
0.7297 Intermediate Similarity NPC256846
0.7297 Intermediate Similarity NPC469914
0.7294 Intermediate Similarity NPC68148
0.7294 Intermediate Similarity NPC112454
0.7294 Intermediate Similarity NPC65615
0.7241 Intermediate Similarity NPC263780
0.7229 Intermediate Similarity NPC474680
0.7229 Intermediate Similarity NPC255174
0.7229 Intermediate Similarity NPC33663
0.7215 Intermediate Similarity NPC478122
0.7188 Intermediate Similarity NPC32351
0.7188 Intermediate Similarity NPC163984
0.7188 Intermediate Similarity NPC58970
0.7188 Intermediate Similarity NPC176819
0.7179 Intermediate Similarity NPC472305
0.7179 Intermediate Similarity NPC180886
0.7179 Intermediate Similarity NPC7629
0.7179 Intermediate Similarity NPC151622
0.716 Intermediate Similarity NPC6663
0.716 Intermediate Similarity NPC116797
0.716 Intermediate Similarity NPC475833
0.716 Intermediate Similarity NPC470298
0.7143 Intermediate Similarity NPC264178
0.7143 Intermediate Similarity NPC127582
0.7143 Intermediate Similarity NPC301065
0.7126 Intermediate Similarity NPC470036
0.7126 Intermediate Similarity NPC174167
0.7125 Intermediate Similarity NPC475681
0.7125 Intermediate Similarity NPC19900
0.7123 Intermediate Similarity NPC197089
0.7121 Intermediate Similarity NPC45283
0.7108 Intermediate Similarity NPC87552
0.7108 Intermediate Similarity NPC53385
0.7105 Intermediate Similarity NPC84790
0.7105 Intermediate Similarity NPC288667
0.7101 Intermediate Similarity NPC56905
0.7101 Intermediate Similarity NPC311852
0.7101 Intermediate Similarity NPC27610
0.7093 Intermediate Similarity NPC474918
0.7089 Intermediate Similarity NPC97173
0.7089 Intermediate Similarity NPC34110
0.7089 Intermediate Similarity NPC266193
0.7089 Intermediate Similarity NPC257666
0.7089 Intermediate Similarity NPC97377
0.7083 Intermediate Similarity NPC475124
0.7083 Intermediate Similarity NPC285371
0.7083 Intermediate Similarity NPC212210
0.7067 Intermediate Similarity NPC262673
0.7059 Intermediate Similarity NPC473733
0.7051 Intermediate Similarity NPC476346
0.7045 Intermediate Similarity NPC211230
0.7037 Intermediate Similarity NPC476809
0.7037 Intermediate Similarity NPC2482
0.7037 Intermediate Similarity NPC271104
0.7027 Intermediate Similarity NPC243272
0.7024 Intermediate Similarity NPC15807
0.7024 Intermediate Similarity NPC187529
0.7024 Intermediate Similarity NPC133652
0.7024 Intermediate Similarity NPC469993
0.7013 Intermediate Similarity NPC109576
0.7013 Intermediate Similarity NPC130016
0.7013 Intermediate Similarity NPC35656
0.7013 Intermediate Similarity NPC56747
0.7013 Intermediate Similarity NPC180015
0.7013 Intermediate Similarity NPC153660
0.7011 Intermediate Similarity NPC129913
0.7 Intermediate Similarity NPC80088
0.7 Intermediate Similarity NPC19443
0.7 Intermediate Similarity NPC471409
0.7 Intermediate Similarity NPC476808
0.7 Intermediate Similarity NPC475994
0.7 Intermediate Similarity NPC253561
0.7 Intermediate Similarity NPC248624
0.7 Intermediate Similarity NPC62336
0.7 Intermediate Similarity NPC275494
0.6988 Remote Similarity NPC309309
0.6988 Remote Similarity NPC102197
0.6988 Remote Similarity NPC291999
0.6988 Remote Similarity NPC49019
0.6986 Remote Similarity NPC470329
0.6977 Remote Similarity NPC72397
0.6974 Remote Similarity NPC94743
0.6974 Remote Similarity NPC251929
0.6974 Remote Similarity NPC265782
0.6974 Remote Similarity NPC2634
0.6974 Remote Similarity NPC291062
0.697 Remote Similarity NPC137396
0.6966 Remote Similarity NPC23170
0.6966 Remote Similarity NPC474882
0.6966 Remote Similarity NPC474328
0.6962 Remote Similarity NPC309399
0.6962 Remote Similarity NPC263582
0.6962 Remote Similarity NPC250621
0.6951 Remote Similarity NPC472684
0.6951 Remote Similarity NPC119229
0.6951 Remote Similarity NPC189237
0.6951 Remote Similarity NPC474353
0.6951 Remote Similarity NPC278459
0.6951 Remote Similarity NPC44963
0.6944 Remote Similarity NPC167256
0.6944 Remote Similarity NPC151728
0.6944 Remote Similarity NPC165695
0.6944 Remote Similarity NPC190049
0.6944 Remote Similarity NPC322457
0.6944 Remote Similarity NPC57463
0.6941 Remote Similarity NPC94666
0.6933 Remote Similarity NPC263382
0.6933 Remote Similarity NPC125578
0.6933 Remote Similarity NPC155198
0.6933 Remote Similarity NPC146376
0.6932 Remote Similarity NPC45579
0.6923 Remote Similarity NPC474797
0.6923 Remote Similarity NPC474796
0.6923 Remote Similarity NPC134083
0.6923 Remote Similarity NPC329866
0.6914 Remote Similarity NPC192329
0.6914 Remote Similarity NPC170793
0.6914 Remote Similarity NPC472490
0.6912 Remote Similarity NPC275472
0.6905 Remote Similarity NPC237712
0.6905 Remote Similarity NPC144258
0.6897 Remote Similarity NPC472676
0.6897 Remote Similarity NPC210216
0.6897 Remote Similarity NPC472688
0.6889 Remote Similarity NPC295347
0.6889 Remote Similarity NPC147232
0.6889 Remote Similarity NPC777
0.6883 Remote Similarity NPC181204
0.6883 Remote Similarity NPC5701
0.6883 Remote Similarity NPC54123
0.6883 Remote Similarity NPC21944
0.6883 Remote Similarity NPC474884
0.6883 Remote Similarity NPC474562
0.6875 Remote Similarity NPC91962
0.6875 Remote Similarity NPC471061
0.6875 Remote Similarity NPC197659
0.6875 Remote Similarity NPC211279
0.6875 Remote Similarity NPC165711
0.6875 Remote Similarity NPC82666

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474060 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
0.7692 Intermediate Similarity NPD4695 Discontinued
0.7468 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD2664 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD5280 Approved
0.7349 Intermediate Similarity NPD4694 Approved
0.7294 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5690 Phase 2
0.7143 Intermediate Similarity NPD5733 Approved
0.7143 Intermediate Similarity NPD5279 Phase 3
0.7143 Intermediate Similarity NPD4687 Approved
0.7143 Intermediate Similarity NPD4058 Approved
0.7123 Intermediate Similarity NPD7331 Phase 2
0.7105 Intermediate Similarity NPD5276 Approved
0.7 Intermediate Similarity NPD3617 Approved
0.6974 Remote Similarity NPD4691 Approved
0.6905 Remote Similarity NPD4197 Approved
0.6875 Remote Similarity NPD4756 Discovery
0.6857 Remote Similarity NPD287 Approved
0.6842 Remote Similarity NPD4137 Phase 3
0.6824 Remote Similarity NPD1696 Phase 3
0.6824 Remote Similarity NPD5329 Approved
0.6757 Remote Similarity NPD7341 Phase 2
0.6753 Remote Similarity NPD4747 Approved
0.6667 Remote Similarity NPD4223 Phase 3
0.6667 Remote Similarity NPD4221 Approved
0.6667 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5133 Approved
0.6591 Remote Similarity NPD4518 Approved
0.6588 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6556 Remote Similarity NPD5284 Approved
0.6556 Remote Similarity NPD5281 Approved
0.6517 Remote Similarity NPD4753 Phase 2
0.6512 Remote Similarity NPD3666 Approved
0.6512 Remote Similarity NPD3133 Approved
0.6512 Remote Similarity NPD3665 Phase 1
0.6471 Remote Similarity NPD3667 Approved
0.6447 Remote Similarity NPD3704 Approved
0.6444 Remote Similarity NPD5692 Phase 3
0.6444 Remote Similarity NPD4096 Approved
0.6374 Remote Similarity NPD6050 Approved
0.6374 Remote Similarity NPD5694 Approved
0.6364 Remote Similarity NPD4690 Approved
0.6364 Remote Similarity NPD4693 Phase 3
0.6364 Remote Similarity NPD5205 Approved
0.6364 Remote Similarity NPD4138 Approved
0.6364 Remote Similarity NPD3618 Phase 1
0.6364 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4689 Approved
0.6364 Remote Similarity NPD4623 Approved
0.6364 Remote Similarity NPD4519 Discontinued
0.6364 Remote Similarity NPD4688 Approved
0.6344 Remote Similarity NPD4629 Approved
0.6344 Remote Similarity NPD5210 Approved
0.6344 Remote Similarity NPD5695 Phase 3
0.6322 Remote Similarity NPD4786 Approved
0.631 Remote Similarity NPD4195 Approved
0.6282 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6277 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6277 Remote Similarity NPD5221 Approved
0.6277 Remote Similarity NPD5222 Approved
0.6211 Remote Similarity NPD5173 Approved
0.6196 Remote Similarity NPD6079 Approved
0.6163 Remote Similarity NPD8028 Phase 2
0.6154 Remote Similarity NPD5328 Approved
0.6133 Remote Similarity NPD4191 Approved
0.6133 Remote Similarity NPD4193 Approved
0.6133 Remote Similarity NPD4192 Approved
0.6133 Remote Similarity NPD4194 Approved
0.6105 Remote Similarity NPD4697 Phase 3
0.6087 Remote Similarity NPD5207 Approved
0.6082 Remote Similarity NPD4696 Approved
0.6082 Remote Similarity NPD5286 Approved
0.6082 Remote Similarity NPD5285 Approved
0.6044 Remote Similarity NPD6672 Approved
0.6044 Remote Similarity NPD5737 Approved
0.6042 Remote Similarity NPD6083 Phase 2
0.6042 Remote Similarity NPD6084 Phase 2
0.6042 Remote Similarity NPD4755 Approved
0.6027 Remote Similarity NPD8779 Phase 3
0.6024 Remote Similarity NPD8264 Approved
0.6022 Remote Similarity NPD7515 Phase 2
0.602 Remote Similarity NPD5223 Approved
0.6 Remote Similarity NPD5654 Approved
0.5979 Remote Similarity NPD5696 Approved
0.5978 Remote Similarity NPD6101 Approved
0.5978 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5978 Remote Similarity NPD6080 Approved
0.5978 Remote Similarity NPD6904 Approved
0.5978 Remote Similarity NPD6673 Approved
0.5977 Remote Similarity NPD4692 Approved
0.5977 Remote Similarity NPD4139 Approved
0.5972 Remote Similarity NPD4627 Clinical (unspecified phase)
0.596 Remote Similarity NPD5211 Phase 2
0.596 Remote Similarity NPD5225 Approved
0.596 Remote Similarity NPD5226 Approved
0.596 Remote Similarity NPD5091 Approved
0.596 Remote Similarity NPD4633 Approved
0.596 Remote Similarity NPD5224 Approved
0.5957 Remote Similarity NPD4202 Approved
0.5955 Remote Similarity NPD3668 Phase 3
0.5938 Remote Similarity NPD7614 Phase 1
0.5934 Remote Similarity NPD3573 Approved
0.5918 Remote Similarity NPD6404 Discontinued
0.5918 Remote Similarity NPD4700 Approved
0.5918 Remote Similarity NPD2066 Phase 3
0.59 Remote Similarity NPD5174 Approved
0.59 Remote Similarity NPD5175 Approved
0.5895 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5895 Remote Similarity NPD7748 Approved
0.5895 Remote Similarity NPD5282 Discontinued
0.5876 Remote Similarity NPD5959 Approved
0.5851 Remote Similarity NPD6411 Approved
0.5851 Remote Similarity NPD5693 Phase 1
0.5843 Remote Similarity NPD4788 Approved
0.5843 Remote Similarity NPD6110 Phase 1
0.5842 Remote Similarity NPD5141 Approved
0.5824 Remote Similarity NPD7146 Approved
0.5824 Remote Similarity NPD7521 Approved
0.5824 Remote Similarity NPD6409 Approved
0.5824 Remote Similarity NPD6684 Approved
0.5824 Remote Similarity NPD5330 Approved
0.5824 Remote Similarity NPD7334 Approved
0.5824 Remote Similarity NPD6098 Approved
0.5789 Remote Similarity NPD5779 Approved
0.5789 Remote Similarity NPD5778 Approved
0.5789 Remote Similarity NPD7631 Approved
0.5789 Remote Similarity NPD6399 Phase 3
0.5743 Remote Similarity NPD4754 Approved
0.573 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5728 Remote Similarity NPD5697 Approved
0.5714 Remote Similarity NPD1694 Approved
0.5714 Remote Similarity NPD5363 Approved
0.5714 Remote Similarity NPD368 Approved
0.5714 Remote Similarity NPD7902 Approved
0.5699 Remote Similarity NPD6903 Approved
0.5699 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5699 Remote Similarity NPD5208 Approved
0.5684 Remote Similarity NPD7609 Phase 3
0.5673 Remote Similarity NPD6881 Approved
0.5673 Remote Similarity NPD5128 Approved
0.5673 Remote Similarity NPD6899 Approved
0.5673 Remote Similarity NPD5168 Approved
0.5673 Remote Similarity NPD6011 Approved
0.5673 Remote Similarity NPD4730 Approved
0.5673 Remote Similarity NPD4729 Approved
0.5631 Remote Similarity NPD6402 Approved
0.5631 Remote Similarity NPD6675 Approved
0.5631 Remote Similarity NPD5739 Approved
0.5631 Remote Similarity NPD4768 Approved
0.5631 Remote Similarity NPD7128 Approved
0.5631 Remote Similarity NPD4767 Approved
0.5619 Remote Similarity NPD6014 Approved
0.5619 Remote Similarity NPD6012 Approved
0.5619 Remote Similarity NPD6013 Approved
0.5616 Remote Similarity NPD539 Approved
0.561 Remote Similarity NPD6922 Approved
0.561 Remote Similarity NPD6923 Approved

Structure

External Identifiers

PubChem CID   21589522
ChEMBL   CHEMBL459446
ZINC  

Physicochemical Properties

Molecular Weight:  246.13
ALogP:  0.9134
MLogP:  2.78
XLogP:  2.038
# Rotatable Bonds:  6
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  18

Download Data

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