Drug Information

Drug ID:  NPD1695
Drug Name:  
Molecular Formula:  C15H18O3
Canonical SMILES:  CC1=CC[C@]23[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC[C@@]3(O2)C
Standard InCHI:  InChI=1S/C15H18O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,10-12H,2,5-7H2,1,3H3/t10-,11-,12-,14-,15+/m0/s1
Standard InCHIKey:  UVJYAKBJSGRTHA-ZCRGAIPPSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1695

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC4986
High Similarity 0.9186 NPC91248
High Similarity 0.9186 NPC224652
High Similarity 0.9101 NPC323008
High Similarity 0.9101 NPC470010
High Similarity 0.9101 NPC262133
High Similarity 0.9101 NPC198853
High Similarity 0.9101 NPC470013
High Similarity 0.9091 NPC131209
High Similarity 0.9091 NPC133698
High Similarity 0.8916 NPC276356
High Similarity 0.8889 NPC477131
High Similarity 0.8864 NPC472872
High Similarity 0.8851 NPC270270
High Similarity 0.871 NPC221615
High Similarity 0.8667 NPC155215
High Similarity 0.8605 NPC272814
High Similarity 0.8587 NPC67584
High Similarity 0.8587 NPC52044
High Similarity 0.8571 NPC617
High Similarity 0.8571 NPC258216
High Similarity 0.8556 NPC37607
High Similarity 0.8556 NPC301969
High Similarity 0.8556 NPC62815
High Similarity 0.8539 NPC79549
High Similarity 0.8523 NPC64153
High Similarity 0.8523 NPC50637
Intermediate Similarity 0.8495 NPC213078
Intermediate Similarity 0.8488 NPC246076
Intermediate Similarity 0.8471 NPC74673
Intermediate Similarity 0.8471 NPC69271
Intermediate Similarity 0.8444 NPC215556
Intermediate Similarity 0.8409 NPC300082
Intermediate Similarity 0.8409 NPC284534
Intermediate Similarity 0.8409 NPC235792
Intermediate Similarity 0.8409 NPC204105
Intermediate Similarity 0.8404 NPC161493
Intermediate Similarity 0.8387 NPC304886
Intermediate Similarity 0.8372 NPC141810
Intermediate Similarity 0.837 NPC135776
Intermediate Similarity 0.8367 NPC243998
Intermediate Similarity 0.8367 NPC223450
Intermediate Similarity 0.8353 NPC182550
Intermediate Similarity 0.8352 NPC216284
Intermediate Similarity 0.8352 NPC312042
Intermediate Similarity 0.8315 NPC67493
Intermediate Similarity 0.8315 NPC304558
Intermediate Similarity 0.8315 NPC107787
Intermediate Similarity 0.8295 NPC115786
Intermediate Similarity 0.828 NPC127019
Intermediate Similarity 0.8256 NPC302426
Intermediate Similarity 0.8247 NPC86077
Intermediate Similarity 0.8242 NPC166919
Intermediate Similarity 0.8242 NPC151770
Intermediate Similarity 0.8222 NPC231889
Intermediate Similarity 0.8222 NPC24728
Intermediate Similarity 0.8222 NPC475703
Intermediate Similarity 0.8202 NPC319795
Intermediate Similarity 0.8202 NPC78089
Intermediate Similarity 0.8202 NPC38468
Intermediate Similarity 0.8202 NPC50362
Intermediate Similarity 0.8191 NPC224689
Intermediate Similarity 0.8191 NPC476053
Intermediate Similarity 0.8191 NPC170120
Intermediate Similarity 0.8191 NPC213698
Intermediate Similarity 0.8182 NPC215294
Intermediate Similarity 0.8182 NPC39588
Intermediate Similarity 0.8182 NPC245665
Intermediate Similarity 0.8172 NPC472874
Intermediate Similarity 0.8152 NPC475748
Intermediate Similarity 0.8132 NPC207114
Intermediate Similarity 0.8132 NPC217983
Intermediate Similarity 0.8132 NPC471149
Intermediate Similarity 0.8132 NPC178875
Intermediate Similarity 0.8125 NPC45125
Intermediate Similarity 0.8111 NPC470242
Intermediate Similarity 0.8111 NPC187661
Intermediate Similarity 0.809 NPC194859
Intermediate Similarity 0.809 NPC156485
Intermediate Similarity 0.809 NPC224386
Intermediate Similarity 0.8085 NPC473316
Intermediate Similarity 0.8085 NPC140543
Intermediate Similarity 0.8085 NPC476267
Intermediate Similarity 0.8085 NPC473330
Intermediate Similarity 0.8065 NPC184063
Intermediate Similarity 0.8065 NPC475925
Intermediate Similarity 0.8043 NPC155935
Intermediate Similarity 0.8043 NPC283409
Intermediate Similarity 0.8043 NPC32922
Intermediate Similarity 0.8041 NPC471381
Intermediate Similarity 0.8041 NPC186861
Intermediate Similarity 0.8022 NPC118601
Intermediate Similarity 0.8 NPC472873
Intermediate Similarity 0.8 NPC220221
Intermediate Similarity 0.8 NPC166115
Intermediate Similarity 0.8 NPC54737
Intermediate Similarity 0.8 NPC161957
Intermediate Similarity 0.8 NPC21471
Intermediate Similarity 0.8 NPC33570
Intermediate Similarity 0.8 NPC163228
Intermediate Similarity 0.798 NPC124881
Intermediate Similarity 0.7979 NPC228451
Intermediate Similarity 0.7979 NPC125674
Intermediate Similarity 0.7979 NPC475838
Intermediate Similarity 0.7979 NPC212486
Intermediate Similarity 0.7976 NPC143979
Intermediate Similarity 0.7976 NPC320537
Intermediate Similarity 0.7959 NPC150923
Intermediate Similarity 0.7957 NPC469718
Intermediate Similarity 0.7957 NPC35809
Intermediate Similarity 0.7957 NPC329857
Intermediate Similarity 0.7957 NPC54065
Intermediate Similarity 0.7957 NPC19087
Intermediate Similarity 0.7957 NPC297474
Intermediate Similarity 0.7955 NPC10276
Intermediate Similarity 0.7955 NPC301477
Intermediate Similarity 0.7955 NPC281949
Intermediate Similarity 0.7955 NPC25684
Intermediate Similarity 0.7955 NPC35089
Intermediate Similarity 0.7955 NPC39411
Intermediate Similarity 0.7955 NPC255580
Intermediate Similarity 0.7938 NPC208233
Intermediate Similarity 0.7921 NPC26617
Intermediate Similarity 0.7917 NPC18019
Intermediate Similarity 0.7917 NPC24956
Intermediate Similarity 0.7912 NPC56593
Intermediate Similarity 0.7907 NPC476794
Intermediate Similarity 0.7907 NPC65603
Intermediate Similarity 0.7907 NPC15975
Intermediate Similarity 0.7907 NPC470240
Intermediate Similarity 0.7907 NPC195785
Intermediate Similarity 0.7895 NPC474247
Intermediate Similarity 0.7889 NPC470238
Intermediate Similarity 0.7889 NPC138647
Intermediate Similarity 0.7882 NPC226669
Intermediate Similarity 0.7882 NPC193351
Intermediate Similarity 0.7882 NPC138408
Intermediate Similarity 0.7872 NPC29821
Intermediate Similarity 0.7872 NPC35959
Intermediate Similarity 0.7872 NPC74103
Intermediate Similarity 0.7872 NPC123177
Intermediate Similarity 0.7872 NPC171360
Intermediate Similarity 0.7872 NPC63193
Intermediate Similarity 0.7872 NPC150978
Intermediate Similarity 0.7872 NPC20713
Intermediate Similarity 0.7872 NPC293001
Intermediate Similarity 0.7872 NPC286341
Intermediate Similarity 0.7872 NPC70595
Intermediate Similarity 0.7872 NPC133888
Intermediate Similarity 0.7872 NPC57304
Intermediate Similarity 0.7872 NPC191339
Intermediate Similarity 0.7857 NPC70865
Intermediate Similarity 0.7849 NPC38392
Intermediate Similarity 0.7841 NPC258965
Intermediate Similarity 0.7841 NPC156658
Intermediate Similarity 0.7835 NPC181151
Intermediate Similarity 0.7812 NPC14961
Intermediate Similarity 0.7812 NPC270013
Intermediate Similarity 0.7802 NPC474547
Intermediate Similarity 0.7802 NPC215364
Intermediate Similarity 0.7791 NPC235906
Intermediate Similarity 0.7778 NPC111409
Intermediate Similarity 0.7778 NPC128246
Intermediate Similarity 0.7778 NPC250315
Intermediate Similarity 0.7778 NPC318468
Intermediate Similarity 0.7767 NPC59489
Intermediate Similarity 0.7767 NPC139838
Intermediate Similarity 0.7766 NPC251385
Intermediate Similarity 0.7766 NPC253144
Intermediate Similarity 0.7766 NPC129419
Intermediate Similarity 0.7766 NPC49342
Intermediate Similarity 0.7755 NPC473326
Intermediate Similarity 0.7755 NPC279561
Intermediate Similarity 0.7753 NPC126248
Intermediate Similarity 0.7753 NPC207188
Intermediate Similarity 0.7753 NPC47635
Intermediate Similarity 0.7742 NPC202672
Intermediate Similarity 0.7732 NPC476315
Intermediate Similarity 0.7732 NPC279621
Intermediate Similarity 0.7732 NPC230800
Intermediate Similarity 0.7732 NPC35498
Intermediate Similarity 0.7727 NPC470244
Intermediate Similarity 0.7727 NPC470239
Intermediate Similarity 0.7723 NPC474741
Intermediate Similarity 0.7717 NPC261253
Intermediate Similarity 0.7717 NPC284902
Intermediate Similarity 0.7717 NPC236692
Intermediate Similarity 0.7717 NPC309757
Intermediate Similarity 0.7717 NPC474045
Intermediate Similarity 0.7708 NPC167219
Intermediate Similarity 0.7708 NPC471147
Intermediate Similarity 0.7708 NPC57405
Intermediate Similarity 0.7708 NPC303942
Intermediate Similarity 0.7708 NPC474338
Intermediate Similarity 0.7708 NPC81386
Intermediate Similarity 0.7708 NPC474035
Intermediate Similarity 0.7701 NPC103987
Intermediate Similarity 0.7701 NPC208223
Intermediate Similarity 0.7701 NPC53581
Intermediate Similarity 0.7692 NPC471884

Drug Structure

External Identifiers

TTD   DNAP001386
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   636760
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  246.13
ALogP  1.2334
MLogP  2.78
XLogP  1.47
HDA  3
HBD  0
Rotatable Bonds  2
TPSA  38.83
RO5 Violation  0