Natural Product: NPC477851

Natural Product ID:  NPC477851
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O3
Standard InCHIKey:  OCIBZEQJHDNRBJ-SGYLJKHVSA-N
Standard InCHI:  InChI=1S/C20H30O3/c1-17(16(22)23)6-5-15(21)19(3)13(17)4-7-20-9-12-11(8-14(19)20)18(12,2)10-20/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13-,14-,15+,17+,18-,19-,20+/m0/s1
Canonical SMILES:  O[C@@H]1CC[C@@]([C@H]2[C@@]1(C)[C@@H]1C[C@H]3[C@H]4C[C@]1(CC2)C[C@@]34C)(C)C(=O)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
NPO33608 Rhizopus arrhizus Species Rhizopodaceae Eukaryota PMID[20481544]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 10000 nM 20481544
NPT91 Cell Line KB Homo sapiens IC50 = 10000 nM 20481544

  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 NPC477851 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
0.925 High Similarity NPC302111
0.9211 High Similarity NPC34046
0.9211 High Similarity NPC80089
0.9211 High Similarity NPC171426
0.9211 High Similarity NPC224802
0.9211 High Similarity NPC324700
0.9091 High Similarity NPC201276
0.9091 High Similarity NPC80891
0.9091 High Similarity NPC320144
0.9067 High Similarity NPC212733
0.9067 High Similarity NPC159789
0.8961 High Similarity NPC185465
0.8947 High Similarity NPC4209
0.8933 High Similarity NPC167702
0.8933 High Similarity NPC280026
0.8916 High Similarity NPC56962
0.8916 High Similarity NPC24705
0.8861 High Similarity NPC12933
0.8831 High Similarity NPC298168
0.8831 High Similarity NPC143133
0.8831 High Similarity NPC207010
0.8831 High Similarity NPC317913
0.8816 High Similarity NPC273366
0.881 High Similarity NPC77756
0.8784 High Similarity NPC477850
0.878 High Similarity NPC472272
0.875 High Similarity NPC121121
0.8706 High Similarity NPC52756
0.8701 High Similarity NPC472487
0.8701 High Similarity NPC472486
0.8625 High Similarity NPC469745
0.859 High Similarity NPC475031
0.859 High Similarity NPC221420
0.8571 High Similarity NPC125767
0.8571 High Similarity NPC21220
0.8553 High Similarity NPC232112
0.8537 High Similarity NPC471044
0.8537 High Similarity NPC473336
0.8519 High Similarity NPC289486
0.8519 High Similarity NPC30583
0.8519 High Similarity NPC268040
0.8519 High Similarity NPC61107
0.8462 Intermediate Similarity NPC5767
0.8462 Intermediate Similarity NPC475742
0.8442 Intermediate Similarity NPC133922
0.8421 Intermediate Similarity NPC151018
0.8421 Intermediate Similarity NPC58057
0.8421 Intermediate Similarity NPC320549
0.8421 Intermediate Similarity NPC156277
0.8421 Intermediate Similarity NPC89310
0.8409 Intermediate Similarity NPC263135
0.8409 Intermediate Similarity NPC288906
0.84 Intermediate Similarity NPC131892
0.84 Intermediate Similarity NPC252032
0.84 Intermediate Similarity NPC196197
0.84 Intermediate Similarity NPC327728
0.84 Intermediate Similarity NPC469941
0.84 Intermediate Similarity NPC319671
0.84 Intermediate Similarity NPC213178
0.84 Intermediate Similarity NPC6120
0.84 Intermediate Similarity NPC476734
0.8395 Intermediate Similarity NPC476071
0.8395 Intermediate Similarity NPC58631
0.8391 Intermediate Similarity NPC477855
0.8378 Intermediate Similarity NPC478180
0.8378 Intermediate Similarity NPC474221
0.8378 Intermediate Similarity NPC130459
0.8333 Intermediate Similarity NPC174964
0.8333 Intermediate Similarity NPC472311
0.8333 Intermediate Similarity NPC195155
0.8333 Intermediate Similarity NPC97534
0.8315 Intermediate Similarity NPC234564
0.8313 Intermediate Similarity NPC50438
0.8313 Intermediate Similarity NPC319909
0.8289 Intermediate Similarity NPC477929
0.8272 Intermediate Similarity NPC261616
0.825 Intermediate Similarity NPC329117
0.8214 Intermediate Similarity NPC473350
0.8205 Intermediate Similarity NPC254340
0.8182 Intermediate Similarity NPC473267
0.8182 Intermediate Similarity NPC224060
0.8182 Intermediate Similarity NPC476189
0.8182 Intermediate Similarity NPC244356
0.8158 Intermediate Similarity NPC64466
0.8158 Intermediate Similarity NPC474962
0.8148 Intermediate Similarity NPC472310
0.814 Intermediate Similarity NPC146937
0.8125 Intermediate Similarity NPC23884
0.8125 Intermediate Similarity NPC474404
0.8118 Intermediate Similarity NPC80700
0.8118 Intermediate Similarity NPC476726
0.8118 Intermediate Similarity NPC476727
0.8101 Intermediate Similarity NPC186851
0.8095 Intermediate Similarity NPC219535
0.8095 Intermediate Similarity NPC237938
0.8068 Intermediate Similarity NPC211403
0.8068 Intermediate Similarity NPC198242
0.8049 Intermediate Similarity NPC470609
0.8046 Intermediate Similarity NPC200580
0.8043 Intermediate Similarity NPC94906
0.8043 Intermediate Similarity NPC41971
0.8043 Intermediate Similarity NPC180733
0.8043 Intermediate Similarity NPC37047
0.8023 Intermediate Similarity NPC263802
0.8023 Intermediate Similarity NPC239938
0.8023 Intermediate Similarity NPC202937
0.8 Intermediate Similarity NPC266431
0.8 Intermediate Similarity NPC470031
0.8 Intermediate Similarity NPC294438
0.8 Intermediate Similarity NPC471046
0.8 Intermediate Similarity NPC42060
0.8 Intermediate Similarity NPC264317
0.8 Intermediate Similarity NPC477931
0.8 Intermediate Similarity NPC268736
0.8 Intermediate Similarity NPC62407
0.8 Intermediate Similarity NPC287354
0.7976 Intermediate Similarity NPC327451
0.7975 Intermediate Similarity NPC477930
0.7957 Intermediate Similarity NPC75941
0.7957 Intermediate Similarity NPC71706
0.7949 Intermediate Similarity NPC469940
0.7935 Intermediate Similarity NPC472028
0.7927 Intermediate Similarity NPC220379
0.7922 Intermediate Similarity NPC324607
0.7922 Intermediate Similarity NPC321732
0.7907 Intermediate Similarity NPC248216
0.7907 Intermediate Similarity NPC12774
0.7907 Intermediate Similarity NPC83242
0.7907 Intermediate Similarity NPC2783
0.7901 Intermediate Similarity NPC264602
0.7901 Intermediate Similarity NPC212453
0.7901 Intermediate Similarity NPC477919
0.7901 Intermediate Similarity NPC180199
0.7895 Intermediate Similarity NPC472984
0.7895 Intermediate Similarity NPC473230
0.7895 Intermediate Similarity NPC475884
0.7889 Intermediate Similarity NPC470385
0.7889 Intermediate Similarity NPC470423
0.7889 Intermediate Similarity NPC470386
0.7882 Intermediate Similarity NPC474996
0.7882 Intermediate Similarity NPC473299
0.7882 Intermediate Similarity NPC477434
0.7875 Intermediate Similarity NPC179858
0.7872 Intermediate Similarity NPC124544
0.7872 Intermediate Similarity NPC271980
0.7872 Intermediate Similarity NPC193934
0.7867 Intermediate Similarity NPC473276
0.7867 Intermediate Similarity NPC474380
0.7867 Intermediate Similarity NPC41577
0.7857 Intermediate Similarity NPC317066
0.7848 Intermediate Similarity NPC310766
0.7841 Intermediate Similarity NPC67653
0.7841 Intermediate Similarity NPC61688
0.7841 Intermediate Similarity NPC471459
0.7826 Intermediate Similarity NPC472273
0.7826 Intermediate Similarity NPC471241
0.7821 Intermediate Similarity NPC108131
0.7816 Intermediate Similarity NPC33768
0.7816 Intermediate Similarity NPC269360
0.7816 Intermediate Similarity NPC470920
0.7816 Intermediate Similarity NPC153604
0.7816 Intermediate Similarity NPC252714
0.7816 Intermediate Similarity NPC264005
0.7805 Intermediate Similarity NPC199965
0.7805 Intermediate Similarity NPC476732
0.7805 Intermediate Similarity NPC471045
0.7805 Intermediate Similarity NPC472608
0.7802 Intermediate Similarity NPC470232
0.7802 Intermediate Similarity NPC98639
0.7792 Intermediate Similarity NPC474954
0.7791 Intermediate Similarity NPC76518
0.7789 Intermediate Similarity NPC312900
0.7778 Intermediate Similarity NPC291373
0.7778 Intermediate Similarity NPC474020
0.7778 Intermediate Similarity NPC472232
0.7778 Intermediate Similarity NPC477933
0.7778 Intermediate Similarity NPC472231
0.7778 Intermediate Similarity NPC477932
0.7765 Intermediate Similarity NPC15091
0.7765 Intermediate Similarity NPC259173
0.7753 Intermediate Similarity NPC472146
0.7753 Intermediate Similarity NPC476296
0.7753 Intermediate Similarity NPC475056
0.7753 Intermediate Similarity NPC185529
0.7738 Intermediate Similarity NPC73515
0.7738 Intermediate Similarity NPC280781
0.7738 Intermediate Similarity NPC48756
0.7733 Intermediate Similarity NPC69149
0.7727 Intermediate Similarity NPC16377
0.7727 Intermediate Similarity NPC473319
0.7727 Intermediate Similarity NPC226491
0.7727 Intermediate Similarity NPC131104
0.7727 Intermediate Similarity NPC236459
0.7727 Intermediate Similarity NPC471900
0.7727 Intermediate Similarity NPC474719
0.7727 Intermediate Similarity NPC477614
0.7727 Intermediate Similarity NPC3032
0.7722 Intermediate Similarity NPC472309
0.7717 Intermediate Similarity NPC29410
0.7717 Intermediate Similarity NPC200054

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477851 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
0.9211 High Similarity NPD6118 Approved
0.9211 High Similarity NPD6115 Approved
0.9211 High Similarity NPD6114 Approved
0.9211 High Similarity NPD6697 Approved
0.9067 High Similarity NPD3703 Phase 2
0.8947 High Similarity NPD6117 Approved
0.8933 High Similarity NPD6113 Clinical (unspecified phase)
0.8831 High Similarity NPD6116 Phase 1
0.8421 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.84 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.84 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4224 Phase 2
0.8 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7922 Intermediate Similarity NPD3698 Phase 2
0.7875 Intermediate Similarity NPD3702 Approved
0.7867 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD4245 Approved
0.7821 Intermediate Similarity NPD4789 Approved
0.7821 Intermediate Similarity NPD4244 Approved
0.7792 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD5360 Phase 3
0.7722 Intermediate Similarity NPD6081 Approved
0.759 Intermediate Similarity NPD3671 Phase 1
0.75 Intermediate Similarity NPD5777 Approved
0.75 Intermediate Similarity NPD4758 Discontinued
0.7292 Intermediate Similarity NPD8418 Phase 2
0.7283 Intermediate Similarity NPD8035 Phase 2
0.7283 Intermediate Similarity NPD8034 Phase 2
0.7253 Intermediate Similarity NPD5328 Approved
0.725 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6079 Approved
0.6977 Remote Similarity NPD5364 Discontinued
0.6951 Remote Similarity NPD4787 Phase 1
0.6923 Remote Similarity NPD3618 Phase 1
0.6889 Remote Similarity NPD4786 Approved
0.6854 Remote Similarity NPD3667 Approved
0.6837 Remote Similarity NPD7638 Approved
0.6832 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6928 Phase 2
0.6804 Remote Similarity NPD4697 Phase 3
0.6804 Remote Similarity NPD5222 Approved
0.6804 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5221 Approved
0.6778 Remote Similarity NPD4788 Approved
0.6768 Remote Similarity NPD7640 Approved
0.6768 Remote Similarity NPD7639 Approved
0.6765 Remote Similarity NPD5739 Approved
0.6765 Remote Similarity NPD6675 Approved
0.6765 Remote Similarity NPD6402 Approved
0.6765 Remote Similarity NPD7128 Approved
0.6753 Remote Similarity NPD3198 Approved
0.6737 Remote Similarity NPD7515 Phase 2
0.6735 Remote Similarity NPD5173 Approved
0.6735 Remote Similarity NPD4755 Approved
0.67 Remote Similarity NPD1700 Approved
0.6699 Remote Similarity NPD5697 Approved
0.6699 Remote Similarity NPD5701 Approved
0.6667 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD4202 Approved
0.6636 Remote Similarity NPD4632 Approved
0.6635 Remote Similarity NPD6899 Approved
0.6635 Remote Similarity NPD6881 Approved
0.6635 Remote Similarity NPD6011 Approved
0.6635 Remote Similarity NPD7320 Approved
0.6634 Remote Similarity NPD7632 Discontinued
0.6602 Remote Similarity NPD6008 Approved
0.66 Remote Similarity NPD5285 Approved
0.66 Remote Similarity NPD5286 Approved
0.66 Remote Similarity NPD4700 Approved
0.66 Remote Similarity NPD4696 Approved
0.6571 Remote Similarity NPD6013 Approved
0.6571 Remote Similarity NPD6372 Approved
0.6571 Remote Similarity NPD6012 Approved
0.6571 Remote Similarity NPD6014 Approved
0.6571 Remote Similarity NPD6373 Approved
0.6535 Remote Similarity NPD5223 Approved
0.6522 Remote Similarity NPD3665 Phase 1
0.6522 Remote Similarity NPD3666 Approved
0.6522 Remote Similarity NPD3133 Approved
0.6509 Remote Similarity NPD7102 Approved
0.6509 Remote Similarity NPD6883 Approved
0.6509 Remote Similarity NPD7290 Approved
0.6481 Remote Similarity NPD8298 Phase 2
0.6471 Remote Similarity NPD4633 Approved
0.6471 Remote Similarity NPD5225 Approved
0.6471 Remote Similarity NPD5224 Approved
0.6471 Remote Similarity NPD5211 Phase 2
0.6471 Remote Similarity NPD5226 Approved
0.6455 Remote Similarity NPD6009 Approved
0.6449 Remote Similarity NPD6649 Approved
0.6449 Remote Similarity NPD8130 Phase 1
0.6449 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6449 Remote Similarity NPD6650 Approved
0.6449 Remote Similarity NPD6869 Approved
0.6449 Remote Similarity NPD6617 Approved
0.6449 Remote Similarity NPD6847 Approved
0.6444 Remote Similarity NPD7525 Registered
0.6429 Remote Similarity NPD7748 Approved
0.6408 Remote Similarity NPD5175 Approved
0.6408 Remote Similarity NPD5174 Approved
0.6408 Remote Similarity NPD4754 Approved
0.6404 Remote Similarity NPD7604 Phase 2
0.6389 Remote Similarity NPD8297 Approved
0.6389 Remote Similarity NPD6882 Approved
0.6355 Remote Similarity NPD4634 Approved
0.6346 Remote Similarity NPD5141 Approved
0.6321 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6286 Remote Similarity NPD4768 Approved
0.6286 Remote Similarity NPD4767 Approved
0.6283 Remote Similarity NPD6319 Approved
0.6262 Remote Similarity NPD4061 Clinical (unspecified phase)
0.625 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6238 Remote Similarity NPD7902 Approved
0.6238 Remote Similarity NPD6084 Phase 2
0.6238 Remote Similarity NPD6083 Phase 2
0.6228 Remote Similarity NPD5983 Phase 2
0.6222 Remote Similarity NPD3617 Approved
0.622 Remote Similarity NPD7909 Approved
0.6216 Remote Similarity NPD6274 Approved
0.6216 Remote Similarity NPD6868 Approved
0.6216 Remote Similarity NPD6940 Discontinued
0.6211 Remote Similarity NPD7334 Approved
0.6211 Remote Similarity NPD5330 Approved
0.6211 Remote Similarity NPD6684 Approved
0.6211 Remote Similarity NPD7146 Approved
0.6211 Remote Similarity NPD6409 Approved
0.6211 Remote Similarity NPD5279 Phase 3
0.6211 Remote Similarity NPD7521 Approved
0.62 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6186 Remote Similarity NPD4753 Phase 2
0.6182 Remote Similarity NPD8133 Approved
0.617 Remote Similarity NPD3668 Phase 3
0.6168 Remote Similarity NPD5128 Approved
0.6168 Remote Similarity NPD4729 Approved
0.6168 Remote Similarity NPD5168 Approved
0.6168 Remote Similarity NPD4730 Approved
0.6161 Remote Similarity NPD6317 Approved
0.6154 Remote Similarity NPD7507 Approved
0.6129 Remote Similarity NPD4223 Phase 3
0.6129 Remote Similarity NPD4221 Approved
0.6122 Remote Similarity NPD6700 Approved
0.6122 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6106 Remote Similarity NPD6314 Approved
0.6106 Remote Similarity NPD6313 Approved
0.6106 Remote Similarity NPD6335 Approved
0.6104 Remote Similarity NPD615 Clinical (unspecified phase)
0.61 Remote Similarity NPD6001 Approved
0.6082 Remote Similarity NPD6903 Approved
0.6082 Remote Similarity NPD5737 Approved
0.6082 Remote Similarity NPD6672 Approved
0.6068 Remote Similarity NPD7492 Approved
0.6067 Remote Similarity NPD7339 Approved
0.6067 Remote Similarity NPD6942 Approved
0.6061 Remote Similarity NPD6702 Approved
0.6061 Remote Similarity NPD6703 Approved
0.6055 Remote Similarity NPD5249 Phase 3
0.6055 Remote Similarity NPD5248 Approved
0.6055 Remote Similarity NPD5247 Approved
0.6055 Remote Similarity NPD5250 Approved
0.6055 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6055 Remote Similarity NPD5251 Approved
0.6055 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6055 Remote Similarity NPD5169 Approved
0.6055 Remote Similarity NPD5135 Approved
0.6053 Remote Similarity NPD7101 Approved
0.6053 Remote Similarity NPD7100 Approved
0.605 Remote Similarity NPD7736 Approved
0.6044 Remote Similarity NPD4238 Approved
0.6044 Remote Similarity NPD4802 Phase 2
0.6042 Remote Similarity NPD3574 Clinical (unspecified phase)
0.604 Remote Similarity NPD5695 Phase 3
0.6022 Remote Similarity NPD4692 Approved
0.6022 Remote Similarity NPD4139 Approved
0.6022 Remote Similarity NPD1779 Approved
0.6022 Remote Similarity NPD1780 Approved
0.6019 Remote Similarity NPD5696 Approved
0.6018 Remote Similarity NPD7115 Discovery
0.6018 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6017 Remote Similarity NPD6336 Discontinued
0.6017 Remote Similarity NPD6616 Approved
0.6 Remote Similarity NPD5215 Approved
0.6 Remote Similarity NPD7319 Approved
0.6 Remote Similarity NPD4197 Approved
0.6 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6 Remote Similarity NPD5217 Approved
0.6 Remote Similarity NPD8171 Discontinued
0.6 Remote Similarity NPD5216 Approved
0.6 Remote Similarity NPD5127 Approved
0.6 Remote Similarity NPD6054 Approved
0.6 Remote Similarity NPD6059 Approved
0.5981 Remote Similarity NPD6920 Discontinued
0.5979 Remote Similarity NPD3573 Approved
0.5966 Remote Similarity NPD8293 Discontinued
0.5966 Remote Similarity NPD7078 Approved
0.5963 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5948 Remote Similarity NPD6908 Approved
0.5948 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5948 Remote Similarity NPD6016 Approved

Structure

External Identifiers

PubChem CID   46907041
ChEMBL   CHEMBL1164319
ZINC  

Physicochemical Properties

Molecular Weight:  318.22
ALogP:  0.2981
MLogP:  3.33
XLogP:  5.101
# Rotatable Bonds:  6
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  23

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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