Natural Product: NPC205071

Natural Product ID:  NPC205071
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H18O3
Standard InCHIKey:  KTALFCIOJDCGJF-NRWDQBFYSA-N
Standard InCHI:  InChI=1S/C15H18O3/c1-8-7-17-11-6-9-4-3-5-10-14(16)18-13(12(8)11)15(9,10)2/h7,9-10,13H,3-6H2,1-2H3/t9-,10-,13+,15+/m1/s1
Canonical SMILES:  O=C1O[C@@H]2[C@@]3([C@@H]1CCC[C@@H]3Cc1c2c(C)co1)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
NPO1183 Ligularia macrophylla Species Asteraceae Eukaryota PMID[18044832]
NPO7123 Aria intermedia Species Rosaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT489 Organism Coptotermes formosanus Coptotermes formosanus Activity = 43.1 ug 18044832

  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 NPC205071 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
0.9638 High Similarity NPC84479
0.95 High Similarity NPC62799
0.9366 High Similarity NPC19747
0.9301 High Similarity NPC211625
0.9286 High Similarity NPC64568
0.911 High Similarity NPC475777
0.9091 High Similarity NPC97904
0.9048 High Similarity NPC114880
0.8986 High Similarity NPC75310
0.8841 High Similarity NPC293253
0.8808 High Similarity NPC474611
0.88 High Similarity NPC104736
0.8767 High Similarity NPC221809
0.8742 High Similarity NPC304692
0.8652 High Similarity NPC214572
0.8649 High Similarity NPC195325
0.863 High Similarity NPC41182
0.8621 High Similarity NPC223415
0.8593 High Similarity NPC178382
0.8592 High Similarity NPC310043
0.8591 High Similarity NPC212257
0.8571 High Similarity NPC188649
0.8553 High Similarity NPC41880
0.8533 High Similarity NPC18135
0.8516 High Similarity NPC283209
0.8516 High Similarity NPC88841
0.8516 High Similarity NPC285567
0.8516 High Similarity NPC288602
0.8514 High Similarity NPC71821
0.8497 Intermediate Similarity NPC81405
0.8493 Intermediate Similarity NPC470741
0.8487 Intermediate Similarity NPC472785
0.8483 Intermediate Similarity NPC20500
0.8477 Intermediate Similarity NPC75906
0.8467 Intermediate Similarity NPC469335
0.8467 Intermediate Similarity NPC476122
0.8467 Intermediate Similarity NPC196864
0.8467 Intermediate Similarity NPC159927
0.8467 Intermediate Similarity NPC477404
0.8467 Intermediate Similarity NPC156189
0.8462 Intermediate Similarity NPC276735
0.8462 Intermediate Similarity NPC472664
0.8452 Intermediate Similarity NPC18986
0.8442 Intermediate Similarity NPC140952
0.8435 Intermediate Similarity NPC251865
0.8425 Intermediate Similarity NPC62103
0.8425 Intermediate Similarity NPC20578
0.8418 Intermediate Similarity NPC296558
0.8408 Intermediate Similarity NPC121995
0.8403 Intermediate Similarity NPC476943
0.84 Intermediate Similarity NPC472654
0.8387 Intermediate Similarity NPC287559
0.8387 Intermediate Similarity NPC333139
0.8378 Intermediate Similarity NPC56731
0.8377 Intermediate Similarity NPC194499
0.8377 Intermediate Similarity NPC88007
0.8377 Intermediate Similarity NPC299038
0.8377 Intermediate Similarity NPC195954
0.8355 Intermediate Similarity NPC476201
0.8355 Intermediate Similarity NPC469503
0.8354 Intermediate Similarity NPC473753
0.8354 Intermediate Similarity NPC473766
0.8344 Intermediate Similarity NPC56358
0.8333 Intermediate Similarity NPC470742
0.8333 Intermediate Similarity NPC68848
0.8333 Intermediate Similarity NPC307401
0.8333 Intermediate Similarity NPC286130
0.8323 Intermediate Similarity NPC475967
0.8322 Intermediate Similarity NPC233763
0.8313 Intermediate Similarity NPC475641
0.8313 Intermediate Similarity NPC475237
0.8301 Intermediate Similarity NPC178932
0.8301 Intermediate Similarity NPC30222
0.8301 Intermediate Similarity NPC282445
0.8301 Intermediate Similarity NPC57998
0.8299 Intermediate Similarity NPC263337
0.8289 Intermediate Similarity NPC472787
0.8288 Intermediate Similarity NPC18904
0.8286 Intermediate Similarity NPC198904
0.828 Intermediate Similarity NPC476035
0.828 Intermediate Similarity NPC14499
0.828 Intermediate Similarity NPC475039
0.8278 Intermediate Similarity NPC470790
0.8278 Intermediate Similarity NPC470791
0.8276 Intermediate Similarity NPC177262
0.8269 Intermediate Similarity NPC191828
0.8267 Intermediate Similarity NPC224418
0.8267 Intermediate Similarity NPC250228
0.8267 Intermediate Similarity NPC470941
0.8258 Intermediate Similarity NPC472778
0.8258 Intermediate Similarity NPC472777
0.8258 Intermediate Similarity NPC472776
0.8258 Intermediate Similarity NPC167142
0.8258 Intermediate Similarity NPC261597
0.8258 Intermediate Similarity NPC249021
0.8258 Intermediate Similarity NPC472772
0.8252 Intermediate Similarity NPC471998
0.825 Intermediate Similarity NPC302392
0.825 Intermediate Similarity NPC472660
0.8247 Intermediate Similarity NPC476262
0.8247 Intermediate Similarity NPC214541
0.8247 Intermediate Similarity NPC469850
0.8247 Intermediate Similarity NPC35000
0.8247 Intermediate Similarity NPC44675
0.8247 Intermediate Similarity NPC469336
0.8243 Intermediate Similarity NPC267632
0.8239 Intermediate Similarity NPC270312
0.8235 Intermediate Similarity NPC121615
0.8235 Intermediate Similarity NPC294511
0.8235 Intermediate Similarity NPC268905
0.8235 Intermediate Similarity NPC246164
0.8231 Intermediate Similarity NPC248795
0.8228 Intermediate Similarity NPC27541
0.8228 Intermediate Similarity NPC62692
0.8228 Intermediate Similarity NPC61967
0.8228 Intermediate Similarity NPC261184
0.8228 Intermediate Similarity NPC126984
0.8224 Intermediate Similarity NPC228842
0.8219 Intermediate Similarity NPC202260
0.8217 Intermediate Similarity NPC471003
0.8212 Intermediate Similarity NPC93666
0.8207 Intermediate Similarity NPC310830
0.8207 Intermediate Similarity NPC4764
0.8205 Intermediate Similarity NPC473368
0.8205 Intermediate Similarity NPC84349
0.8205 Intermediate Similarity NPC475226
0.82 Intermediate Similarity NPC262198
0.82 Intermediate Similarity NPC346
0.8199 Intermediate Similarity NPC294512
0.8194 Intermediate Similarity NPC204663
0.8194 Intermediate Similarity NPC92941
0.8194 Intermediate Similarity NPC209364
0.8194 Intermediate Similarity NPC107646
0.8188 Intermediate Similarity NPC476944
0.8176 Intermediate Similarity NPC121158
0.8171 Intermediate Similarity NPC472661
0.8165 Intermediate Similarity NPC419
0.8165 Intermediate Similarity NPC469846
0.8163 Intermediate Similarity NPC148374
0.8163 Intermediate Similarity NPC61157
0.8163 Intermediate Similarity NPC473681
0.8163 Intermediate Similarity NPC218204
0.8158 Intermediate Similarity NPC471001
0.8156 Intermediate Similarity NPC59502
0.8153 Intermediate Similarity NPC305016
0.8153 Intermediate Similarity NPC8389
0.8151 Intermediate Similarity NPC220094
0.8146 Intermediate Similarity NPC255414
0.8141 Intermediate Similarity NPC195131
0.8141 Intermediate Similarity NPC187149
0.8141 Intermediate Similarity NPC470625
0.8141 Intermediate Similarity NPC477674
0.8141 Intermediate Similarity NPC286722
0.8141 Intermediate Similarity NPC36655
0.8141 Intermediate Similarity NPC472283
0.8138 Intermediate Similarity NPC46896
0.8129 Intermediate Similarity NPC477669
0.8125 Intermediate Similarity NPC472784
0.8121 Intermediate Similarity NPC243577
0.8121 Intermediate Similarity NPC103134
0.8117 Intermediate Similarity NPC308205
0.8117 Intermediate Similarity NPC322546
0.8117 Intermediate Similarity NPC182427
0.8117 Intermediate Similarity NPC29695
0.811 Intermediate Similarity NPC472665
0.8105 Intermediate Similarity NPC476936
0.8102 Intermediate Similarity NPC97566
0.8101 Intermediate Similarity NPC472771
0.8101 Intermediate Similarity NPC472668
0.8101 Intermediate Similarity NPC82851
0.8101 Intermediate Similarity NPC470939
0.8101 Intermediate Similarity NPC79571
0.8099 Intermediate Similarity NPC21460
0.8099 Intermediate Similarity NPC45947
0.8095 Intermediate Similarity NPC474722
0.8095 Intermediate Similarity NPC474615
0.8089 Intermediate Similarity NPC307383
0.8089 Intermediate Similarity NPC475295
0.8089 Intermediate Similarity NPC473473
0.8089 Intermediate Similarity NPC116639
0.8077 Intermediate Similarity NPC126723
0.8077 Intermediate Similarity NPC60973
0.8077 Intermediate Similarity NPC263265
0.8071 Intermediate Similarity NPC216810
0.8067 Intermediate Similarity NPC142113
0.8063 Intermediate Similarity NPC472141
0.8063 Intermediate Similarity NPC86800
0.8063 Intermediate Similarity NPC475779
0.8054 Intermediate Similarity NPC473152
0.8052 Intermediate Similarity NPC116717
0.8052 Intermediate Similarity NPC191104
0.8052 Intermediate Similarity NPC472406
0.8052 Intermediate Similarity NPC477676
0.805 Intermediate Similarity NPC476197
0.805 Intermediate Similarity NPC224394
0.805 Intermediate Similarity NPC472780
0.805 Intermediate Similarity NPC472669
0.805 Intermediate Similarity NPC663
0.805 Intermediate Similarity NPC471168
0.805 Intermediate Similarity NPC165218

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC205071 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
0.8387 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7974 Intermediate Similarity NPD920 Approved
0.7961 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD5760 Phase 2
0.7898 Intermediate Similarity NPD5761 Phase 2
0.7829 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD8434 Phase 2
0.7748 Intermediate Similarity NPD1243 Approved
0.7727 Intermediate Similarity NPD2534 Approved
0.7727 Intermediate Similarity NPD2532 Approved
0.7727 Intermediate Similarity NPD2533 Approved
0.7616 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD2796 Approved
0.7516 Intermediate Similarity NPD2800 Approved
0.75 Intermediate Similarity NPD1471 Phase 3
0.7485 Intermediate Similarity NPD919 Approved
0.7484 Intermediate Similarity NPD6599 Discontinued
0.7453 Intermediate Similarity NPD7819 Suspended
0.7439 Intermediate Similarity NPD5494 Approved
0.7412 Intermediate Similarity NPD6764 Approved
0.7412 Intermediate Similarity NPD6765 Approved
0.7355 Intermediate Similarity NPD4628 Phase 3
0.7338 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD1247 Approved
0.7273 Intermediate Similarity NPD17 Approved
0.7241 Intermediate Similarity NPD6784 Approved
0.7241 Intermediate Similarity NPD6785 Approved
0.7239 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD6799 Approved
0.7212 Intermediate Similarity NPD3749 Approved
0.7209 Intermediate Similarity NPD6559 Discontinued
0.7208 Intermediate Similarity NPD1551 Phase 2
0.7176 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD2346 Discontinued
0.7161 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5711 Approved
0.7143 Intermediate Similarity NPD2799 Discontinued
0.7143 Intermediate Similarity NPD5710 Approved
0.7143 Intermediate Similarity NPD3748 Approved
0.7134 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD6273 Approved
0.7123 Intermediate Similarity NPD1608 Approved
0.7117 Intermediate Similarity NPD7411 Suspended
0.7115 Intermediate Similarity NPD1549 Phase 2
0.7108 Intermediate Similarity NPD7075 Discontinued
0.7099 Intermediate Similarity NPD3226 Approved
0.7097 Intermediate Similarity NPD6100 Approved
0.7097 Intermediate Similarity NPD6099 Approved
0.7091 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD3817 Phase 2
0.7083 Intermediate Similarity NPD6959 Discontinued
0.7073 Intermediate Similarity NPD6801 Discontinued
0.707 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD6832 Phase 2
0.7051 Intermediate Similarity NPD2344 Approved
0.7048 Intermediate Similarity NPD4967 Phase 2
0.7048 Intermediate Similarity NPD4965 Approved
0.7048 Intermediate Similarity NPD4966 Approved
0.7039 Intermediate Similarity NPD8032 Phase 2
0.7025 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7473 Discontinued
0.7013 Intermediate Similarity NPD1607 Approved
0.7013 Intermediate Similarity NPD6651 Approved
0.7007 Intermediate Similarity NPD3972 Approved
0.7 Intermediate Similarity NPD3926 Phase 2
0.6993 Remote Similarity NPD1240 Approved
0.6974 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6974 Remote Similarity NPD2313 Discontinued
0.697 Remote Similarity NPD1934 Approved
0.6964 Remote Similarity NPD6234 Discontinued
0.6948 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6946 Remote Similarity NPD3882 Suspended
0.6946 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6004 Phase 3
0.6943 Remote Similarity NPD6005 Phase 3
0.6943 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6002 Phase 3
0.6941 Remote Similarity NPD6808 Phase 2
0.6941 Remote Similarity NPD6232 Discontinued
0.6939 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6936 Remote Similarity NPD5844 Phase 1
0.6923 Remote Similarity NPD1510 Phase 2
0.6918 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6918 Remote Similarity NPD3750 Approved
0.6886 Remote Similarity NPD5402 Approved
0.6879 Remote Similarity NPD2935 Discontinued
0.6879 Remote Similarity NPD3818 Discontinued
0.6875 Remote Similarity NPD2309 Approved
0.6871 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3266 Approved
0.6867 Remote Similarity NPD3267 Approved
0.6867 Remote Similarity NPD37 Approved
0.686 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6849 Remote Similarity NPD5585 Approved
0.6848 Remote Similarity NPD4380 Phase 2
0.6845 Remote Similarity NPD7768 Phase 2
0.6842 Remote Similarity NPD7229 Phase 3
0.6826 Remote Similarity NPD2801 Approved
0.6824 Remote Similarity NPD1281 Approved
0.6821 Remote Similarity NPD1019 Discontinued
0.6815 Remote Similarity NPD7033 Discontinued
0.6805 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6803 Remote Similarity NPD1778 Approved
0.679 Remote Similarity NPD1511 Approved
0.6788 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6774 Remote Similarity NPD2979 Phase 3
0.6769 Remote Similarity NPD8404 Phase 2
0.6768 Remote Similarity NPD5403 Approved
0.6766 Remote Similarity NPD6280 Approved
0.6766 Remote Similarity NPD6279 Approved
0.676 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6755 Remote Similarity NPD2797 Approved
0.6753 Remote Similarity NPD3268 Approved
0.6748 Remote Similarity NPD5401 Approved
0.6728 Remote Similarity NPD7236 Approved
0.6711 Remote Similarity NPD2798 Approved
0.6708 Remote Similarity NPD7003 Approved
0.6708 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6707 Remote Similarity NPD1512 Approved
0.669 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6689 Remote Similarity NPD1283 Approved
0.6689 Remote Similarity NPD1876 Approved
0.6687 Remote Similarity NPD7458 Discontinued
0.6686 Remote Similarity NPD7199 Phase 2
0.6686 Remote Similarity NPD8127 Discontinued
0.6686 Remote Similarity NPD7228 Approved
0.6667 Remote Similarity NPD9717 Approved
0.6667 Remote Similarity NPD4140 Approved
0.6667 Remote Similarity NPD5953 Discontinued
0.6667 Remote Similarity NPD6166 Phase 2
0.6667 Remote Similarity NPD2438 Suspended
0.6667 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4307 Phase 2
0.6667 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1241 Discontinued
0.6667 Remote Similarity NPD2403 Approved
0.6648 Remote Similarity NPD7286 Phase 2
0.6648 Remote Similarity NPD8313 Approved
0.6648 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6648 Remote Similarity NPD8312 Approved
0.6646 Remote Similarity NPD2654 Approved
0.6645 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6645 Remote Similarity NPD1203 Approved
0.6627 Remote Similarity NPD1465 Phase 2
0.6624 Remote Similarity NPD230 Phase 1
0.6624 Remote Similarity NPD447 Suspended
0.6624 Remote Similarity NPD6355 Discontinued
0.6623 Remote Similarity NPD4359 Approved
0.6622 Remote Similarity NPD5691 Approved
0.6622 Remote Similarity NPD1651 Approved
0.661 Remote Similarity NPD7074 Phase 3
0.6609 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6605 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6605 Remote Similarity NPD4110 Phase 3
0.6601 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6592 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6592 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6591 Remote Similarity NPD7799 Discontinued
0.6588 Remote Similarity NPD5353 Approved
0.6585 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6573 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6564 Remote Similarity NPD3887 Approved
0.6554 Remote Similarity NPD9545 Approved
0.6554 Remote Similarity NPD7054 Approved
0.6538 Remote Similarity NPD411 Approved
0.6538 Remote Similarity NPD1296 Phase 2
0.6538 Remote Similarity NPD3764 Approved
0.6536 Remote Similarity NPD7240 Approved
0.6527 Remote Similarity NPD7239 Suspended
0.6519 Remote Similarity NPD4622 Approved
0.6519 Remote Similarity NPD5124 Phase 1
0.6519 Remote Similarity NPD4618 Approved
0.6519 Remote Similarity NPD1933 Approved
0.6519 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6517 Remote Similarity NPD7472 Approved
0.6514 Remote Similarity NPD5242 Approved
0.6513 Remote Similarity NPD5327 Phase 3
0.6509 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6509 Remote Similarity NPD5890 Approved
0.6509 Remote Similarity NPD5889 Approved
0.6508 Remote Similarity NPD4107 Approved
0.6506 Remote Similarity NPD7314 Clinical (unspecified phase)
0.65 Remote Similarity NPD1509 Clinical (unspecified phase)
0.65 Remote Similarity NPD4308 Phase 3
0.6497 Remote Similarity NPD4870 Approved
0.648 Remote Similarity NPD6797 Phase 2
0.6467 Remote Similarity NPD4287 Approved
0.646 Remote Similarity NPD4477 Approved
0.646 Remote Similarity NPD4476 Approved
0.646 Remote Similarity NPD2531 Phase 2
0.6457 Remote Similarity NPD7315 Approved
0.6457 Remote Similarity NPD3787 Discontinued

Structure

External Identifiers

PubChem CID   14307934
ChEMBL   CHEMBL2252623
ZINC  

Physicochemical Properties

Molecular Weight:  246.13
ALogP:  0.4534
MLogP:  2.78
XLogP:  2.744
# Rotatable Bonds:  2
Polar Surface Area:  39.44
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  18

Download Data

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