Natural Product: NPC139566

Natural Product ID:  NPC139566
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H28O2
Standard InCHIKey:  ZOWGCPFSPASCRH-PHTDPNITSA-N
Standard InCHI:  InChI=1S/C20H28O2/c1-6-13(2)8-9-15-14(3)12-16-17-19(15,4)10-7-11-20(17,5)18(21)22-16/h6,8,15-17H,1,3,7,9-12H2,2,4-5H3/b13-8+/t15-,16+,17+,19+,20-/m0/s1
Canonical SMILES:  C=C/C(=C/C[C@H]1C(=C)C[C@@H]2[C@@H]3[C@]1(C)CCC[C@]3(C)C(=O)O2)/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
NPO33264 salvia leriaefolia Species Lamiaceae Eukaryota PMID[10691726]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT19 Organism Escherichia coli Escherichia coli IZ = 13 mm 19818612
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 12 mm 18161942
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 20 mm 18161942

  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 NPC139566 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
0.8987 High Similarity NPC35574
0.8734 High Similarity NPC92489
0.869 High Similarity NPC476602
0.8675 High Similarity NPC312480
0.8675 High Similarity NPC470948
0.8659 High Similarity NPC475665
0.8621 High Similarity NPC475965
0.8621 High Similarity NPC474842
0.8605 High Similarity NPC97884
0.8605 High Similarity NPC472220
0.8605 High Similarity NPC477128
0.8588 High Similarity NPC6979
0.8539 High Similarity NPC477129
0.8539 High Similarity NPC477130
0.8523 High Similarity NPC49420
0.8506 High Similarity NPC73995
0.85 High Similarity NPC41017
0.8434 Intermediate Similarity NPC474955
0.8434 Intermediate Similarity NPC475951
0.8391 Intermediate Similarity NPC215831
0.8391 Intermediate Similarity NPC474845
0.8372 Intermediate Similarity NPC264127
0.8333 Intermediate Similarity NPC226988
0.8333 Intermediate Similarity NPC473280
0.8333 Intermediate Similarity NPC471078
0.8333 Intermediate Similarity NPC178676
0.8333 Intermediate Similarity NPC473435
0.8333 Intermediate Similarity NPC473431
0.8295 Intermediate Similarity NPC475049
0.8261 Intermediate Similarity NPC110937
0.8256 Intermediate Similarity NPC52628
0.8222 Intermediate Similarity NPC470224
0.8222 Intermediate Similarity NPC474436
0.8222 Intermediate Similarity NPC49776
0.8222 Intermediate Similarity NPC474185
0.8222 Intermediate Similarity NPC63118
0.8214 Intermediate Similarity NPC473420
0.8214 Intermediate Similarity NPC209318
0.8214 Intermediate Similarity NPC223330
0.8214 Intermediate Similarity NPC38642
0.8202 Intermediate Similarity NPC220454
0.8202 Intermediate Similarity NPC212679
0.8202 Intermediate Similarity NPC469595
0.8202 Intermediate Similarity NPC152467
0.8193 Intermediate Similarity NPC158565
0.8161 Intermediate Similarity NPC325594
0.8161 Intermediate Similarity NPC91525
0.8161 Intermediate Similarity NPC10005
0.8161 Intermediate Similarity NPC329943
0.8161 Intermediate Similarity NPC9892
0.8161 Intermediate Similarity NPC329692
0.8152 Intermediate Similarity NPC122324
0.8152 Intermediate Similarity NPC307164
0.8152 Intermediate Similarity NPC151725
0.8152 Intermediate Similarity NPC106425
0.814 Intermediate Similarity NPC97505
0.814 Intermediate Similarity NPC100391
0.8132 Intermediate Similarity NPC38830
0.8111 Intermediate Similarity NPC233345
0.8111 Intermediate Similarity NPC301244
0.8111 Intermediate Similarity NPC186363
0.8095 Intermediate Similarity NPC269791
0.8095 Intermediate Similarity NPC195424
0.809 Intermediate Similarity NPC128496
0.809 Intermediate Similarity NPC474679
0.8085 Intermediate Similarity NPC266955
0.8072 Intermediate Similarity NPC4827
0.8068 Intermediate Similarity NPC175293
0.8068 Intermediate Similarity NPC162107
0.8068 Intermediate Similarity NPC46912
0.8065 Intermediate Similarity NPC292133
0.8046 Intermediate Similarity NPC110405
0.8046 Intermediate Similarity NPC470223
0.8046 Intermediate Similarity NPC329738
0.8025 Intermediate Similarity NPC166797
0.8025 Intermediate Similarity NPC3753
0.8025 Intermediate Similarity NPC237591
0.8022 Intermediate Similarity NPC79117
0.8 Intermediate Similarity NPC115899
0.8 Intermediate Similarity NPC469372
0.8 Intermediate Similarity NPC471896
0.8 Intermediate Similarity NPC474728
0.8 Intermediate Similarity NPC142163
0.8 Intermediate Similarity NPC310479
0.7979 Intermediate Similarity NPC252295
0.7978 Intermediate Similarity NPC473879
0.7978 Intermediate Similarity NPC224145
0.7978 Intermediate Similarity NPC28227
0.7975 Intermediate Similarity NPC199557
0.7957 Intermediate Similarity NPC471153
0.7955 Intermediate Similarity NPC82979
0.7955 Intermediate Similarity NPC73038
0.7935 Intermediate Similarity NPC49670
0.7935 Intermediate Similarity NPC80365
0.7935 Intermediate Similarity NPC159410
0.7935 Intermediate Similarity NPC56525
0.7931 Intermediate Similarity NPC96055
0.7931 Intermediate Similarity NPC219011
0.7931 Intermediate Similarity NPC470011
0.7927 Intermediate Similarity NPC476844
0.7917 Intermediate Similarity NPC155332
0.7917 Intermediate Similarity NPC114540
0.7917 Intermediate Similarity NPC32577
0.7912 Intermediate Similarity NPC285184
0.7912 Intermediate Similarity NPC470590
0.7912 Intermediate Similarity NPC60755
0.7912 Intermediate Similarity NPC26888
0.7912 Intermediate Similarity NPC77099
0.7912 Intermediate Similarity NPC72845
0.7907 Intermediate Similarity NPC73882
0.7895 Intermediate Similarity NPC470906
0.7895 Intermediate Similarity NPC35751
0.7895 Intermediate Similarity NPC476303
0.7889 Intermediate Similarity NPC470588
0.7889 Intermediate Similarity NPC84271
0.7889 Intermediate Similarity NPC102414
0.7889 Intermediate Similarity NPC474972
0.7889 Intermediate Similarity NPC161751
0.7889 Intermediate Similarity NPC474686
0.7889 Intermediate Similarity NPC50488
0.7889 Intermediate Similarity NPC288699
0.7889 Intermediate Similarity NPC95246
0.7889 Intermediate Similarity NPC474396
0.7889 Intermediate Similarity NPC173042
0.7889 Intermediate Similarity NPC50070
0.7889 Intermediate Similarity NPC77168
0.7872 Intermediate Similarity NPC474343
0.7872 Intermediate Similarity NPC2049
0.7872 Intermediate Similarity NPC10057
0.7872 Intermediate Similarity NPC226986
0.7865 Intermediate Similarity NPC181327
0.7865 Intermediate Similarity NPC477926
0.7865 Intermediate Similarity NPC474684
0.7865 Intermediate Similarity NPC305029
0.7865 Intermediate Similarity NPC167877
0.7865 Intermediate Similarity NPC142361
0.7865 Intermediate Similarity NPC181103
0.7865 Intermediate Similarity NPC141292
0.7857 Intermediate Similarity NPC247783
0.7857 Intermediate Similarity NPC269543
0.7849 Intermediate Similarity NPC139459
0.7849 Intermediate Similarity NPC183012
0.7849 Intermediate Similarity NPC88310
0.7841 Intermediate Similarity NPC300985
0.7841 Intermediate Similarity NPC323765
0.7841 Intermediate Similarity NPC177932
0.7831 Intermediate Similarity NPC899
0.7831 Intermediate Similarity NPC476601
0.7826 Intermediate Similarity NPC170220
0.7826 Intermediate Similarity NPC107674
0.7826 Intermediate Similarity NPC152778
0.7826 Intermediate Similarity NPC162615
0.7826 Intermediate Similarity NPC141497
0.7826 Intermediate Similarity NPC139692
0.7826 Intermediate Similarity NPC205034
0.7816 Intermediate Similarity NPC474789
0.7816 Intermediate Similarity NPC222358
0.7816 Intermediate Similarity NPC52108
0.7816 Intermediate Similarity NPC194637
0.7816 Intermediate Similarity NPC22611
0.7812 Intermediate Similarity NPC168319
0.7812 Intermediate Similarity NPC194028
0.7805 Intermediate Similarity NPC306928
0.7802 Intermediate Similarity NPC232202
0.7802 Intermediate Similarity NPC221111
0.7802 Intermediate Similarity NPC148414
0.7802 Intermediate Similarity NPC280149
0.7802 Intermediate Similarity NPC182136
0.7802 Intermediate Similarity NPC158488
0.7802 Intermediate Similarity NPC8062
0.7802 Intermediate Similarity NPC120840
0.7802 Intermediate Similarity NPC113989
0.7802 Intermediate Similarity NPC328141
0.7802 Intermediate Similarity NPC175628
0.7802 Intermediate Similarity NPC475776
0.7802 Intermediate Similarity NPC111585
0.7789 Intermediate Similarity NPC477813
0.7789 Intermediate Similarity NPC164349
0.7789 Intermediate Similarity NPC234617
0.7789 Intermediate Similarity NPC57079
0.7789 Intermediate Similarity NPC124703
0.7789 Intermediate Similarity NPC108368
0.7778 Intermediate Similarity NPC474512
0.7778 Intermediate Similarity NPC310752
0.7778 Intermediate Similarity NPC181225
0.7778 Intermediate Similarity NPC24816
0.7778 Intermediate Similarity NPC470629
0.7778 Intermediate Similarity NPC473229
0.7778 Intermediate Similarity NPC290690
0.7778 Intermediate Similarity NPC40552
0.7778 Intermediate Similarity NPC277771
0.7778 Intermediate Similarity NPC246708
0.7778 Intermediate Similarity NPC473242
0.7778 Intermediate Similarity NPC226863
0.7778 Intermediate Similarity NPC17733
0.7778 Intermediate Similarity NPC292491
0.7766 Intermediate Similarity NPC250757
0.7766 Intermediate Similarity NPC301534
0.7766 Intermediate Similarity NPC327179
0.7766 Intermediate Similarity NPC9487

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC139566 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
0.7841 Intermediate Similarity NPD1694 Approved
0.7826 Intermediate Similarity NPD6399 Phase 3
0.7753 Intermediate Similarity NPD7146 Approved
0.7753 Intermediate Similarity NPD7334 Approved
0.7753 Intermediate Similarity NPD7521 Approved
0.7753 Intermediate Similarity NPD6409 Approved
0.7753 Intermediate Similarity NPD6684 Approved
0.7753 Intermediate Similarity NPD5330 Approved
0.7742 Intermediate Similarity NPD7900 Approved
0.7742 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD3573 Approved
0.7609 Intermediate Similarity NPD5207 Approved
0.7582 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD6903 Approved
0.7556 Intermediate Similarity NPD3618 Phase 1
0.7553 Intermediate Similarity NPD7748 Approved
0.7527 Intermediate Similarity NPD6411 Approved
0.75 Intermediate Similarity NPD7902 Approved
0.75 Intermediate Similarity NPD6008 Approved
0.75 Intermediate Similarity NPD3667 Approved
0.7474 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD4225 Approved
0.7391 Intermediate Similarity NPD5737 Approved
0.7391 Intermediate Similarity NPD6672 Approved
0.7368 Intermediate Similarity NPD6001 Approved
0.734 Intermediate Similarity NPD8035 Phase 2
0.734 Intermediate Similarity NPD7515 Phase 2
0.734 Intermediate Similarity NPD8034 Phase 2
0.7333 Intermediate Similarity NPD3668 Phase 3
0.7333 Intermediate Similarity NPD4786 Approved
0.7312 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD6101 Approved
0.7294 Intermediate Similarity NPD8039 Approved
0.7253 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6098 Approved
0.7158 Intermediate Similarity NPD6079 Approved
0.7158 Intermediate Similarity NPD5694 Approved
0.7128 Intermediate Similarity NPD5328 Approved
0.7087 Intermediate Similarity NPD5697 Approved
0.7083 Intermediate Similarity NPD5779 Approved
0.7083 Intermediate Similarity NPD5778 Approved
0.7071 Intermediate Similarity NPD7638 Approved
0.7053 Intermediate Similarity NPD5692 Phase 3
0.7041 Intermediate Similarity NPD5349 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD5208 Approved
0.7019 Intermediate Similarity NPD6899 Approved
0.7019 Intermediate Similarity NPD6881 Approved
0.7019 Intermediate Similarity NPD6011 Approved
0.7 Intermediate Similarity NPD7640 Approved
0.7 Intermediate Similarity NPD7639 Approved
0.699 Remote Similarity NPD6402 Approved
0.699 Remote Similarity NPD5739 Approved
0.699 Remote Similarity NPD7128 Approved
0.699 Remote Similarity NPD6675 Approved
0.6989 Remote Similarity NPD5279 Phase 3
0.6981 Remote Similarity NPD6650 Approved
0.6981 Remote Similarity NPD6649 Approved
0.6979 Remote Similarity NPD5284 Approved
0.6979 Remote Similarity NPD6050 Approved
0.6979 Remote Similarity NPD5281 Approved
0.6979 Remote Similarity NPD7637 Suspended
0.6957 Remote Similarity NPD3665 Phase 1
0.6957 Remote Similarity NPD3666 Approved
0.6957 Remote Similarity NPD3133 Approved
0.6952 Remote Similarity NPD6013 Approved
0.6952 Remote Similarity NPD6012 Approved
0.6952 Remote Similarity NPD6014 Approved
0.6952 Remote Similarity NPD6372 Approved
0.6952 Remote Similarity NPD6373 Approved
0.6947 Remote Similarity NPD6673 Approved
0.6947 Remote Similarity NPD6080 Approved
0.6947 Remote Similarity NPD6904 Approved
0.6923 Remote Similarity NPD5701 Approved
0.6907 Remote Similarity NPD4202 Approved
0.69 Remote Similarity NPD5696 Approved
0.6887 Remote Similarity NPD7102 Approved
0.6887 Remote Similarity NPD7290 Approved
0.6887 Remote Similarity NPD6883 Approved
0.6869 Remote Similarity NPD5221 Approved
0.6869 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6869 Remote Similarity NPD4697 Phase 3
0.6869 Remote Similarity NPD5222 Approved
0.6857 Remote Similarity NPD7320 Approved
0.6822 Remote Similarity NPD6869 Approved
0.6822 Remote Similarity NPD8130 Phase 1
0.6822 Remote Similarity NPD6617 Approved
0.6822 Remote Similarity NPD6847 Approved
0.6818 Remote Similarity NPD7115 Discovery
0.6804 Remote Similarity NPD5693 Phase 1
0.68 Remote Similarity NPD6083 Phase 2
0.68 Remote Similarity NPD5173 Approved
0.68 Remote Similarity NPD6084 Phase 2
0.6782 Remote Similarity NPD6926 Approved
0.6782 Remote Similarity NPD6924 Approved
0.6782 Remote Similarity NPD4058 Approved
0.6771 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6768 Remote Similarity NPD5695 Phase 3
0.6759 Remote Similarity NPD6882 Approved
0.6759 Remote Similarity NPD8297 Approved
0.6744 Remote Similarity NPD7151 Approved
0.6744 Remote Similarity NPD7152 Approved
0.6744 Remote Similarity NPD7150 Approved
0.6703 Remote Similarity NPD4695 Discontinued
0.6667 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6634 Remote Similarity NPD4755 Approved
0.6632 Remote Similarity NPD3574 Clinical (unspecified phase)
0.663 Remote Similarity NPD5369 Approved
0.6629 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6933 Approved
0.6628 Remote Similarity NPD7144 Approved
0.6628 Remote Similarity NPD7143 Approved
0.6604 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6602 Remote Similarity NPD5223 Approved
0.66 Remote Similarity NPD5654 Approved
0.66 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6598 Remote Similarity NPD6051 Approved
0.6593 Remote Similarity NPD7645 Phase 2
0.6591 Remote Similarity NPD4687 Approved
0.6579 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6868 Approved
0.6559 Remote Similarity NPD5209 Approved
0.6559 Remote Similarity NPD4223 Phase 3
0.6559 Remote Similarity NPD4221 Approved
0.6552 Remote Similarity NPD5276 Approved
0.6552 Remote Similarity NPD5777 Approved
0.6545 Remote Similarity NPD6858 Approved
0.6545 Remote Similarity NPD7094 Approved
0.6545 Remote Similarity NPD4632 Approved
0.6538 Remote Similarity NPD5224 Approved
0.6538 Remote Similarity NPD5211 Phase 2
0.6538 Remote Similarity NPD5226 Approved
0.6538 Remote Similarity NPD5225 Approved
0.6538 Remote Similarity NPD4633 Approved
0.6522 Remote Similarity NPD7525 Registered
0.6522 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7509 Discontinued
0.6518 Remote Similarity NPD6317 Approved
0.6517 Remote Similarity NPD7339 Approved
0.6517 Remote Similarity NPD8264 Approved
0.6517 Remote Similarity NPD6942 Approved
0.6512 Remote Similarity NPD6922 Approved
0.6512 Remote Similarity NPD4137 Phase 3
0.6512 Remote Similarity NPD6923 Approved
0.6505 Remote Similarity NPD4700 Approved
0.65 Remote Similarity NPD5282 Discontinued
0.6489 Remote Similarity NPD5362 Discontinued
0.6489 Remote Similarity NPD6695 Phase 3
0.6489 Remote Similarity NPD7154 Phase 3
0.6484 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6476 Remote Similarity NPD6052 Approved
0.6476 Remote Similarity NPD5174 Approved
0.6476 Remote Similarity NPD5175 Approved
0.6471 Remote Similarity NPD5959 Approved
0.646 Remote Similarity NPD6314 Approved
0.646 Remote Similarity NPD6335 Approved
0.646 Remote Similarity NPD6313 Approved
0.6458 Remote Similarity NPD4694 Approved
0.6458 Remote Similarity NPD4623 Approved
0.6458 Remote Similarity NPD4519 Discontinued
0.6458 Remote Similarity NPD5280 Approved
0.6458 Remote Similarity NPD6422 Discontinued
0.6444 Remote Similarity NPD6117 Approved
0.6437 Remote Similarity NPD4691 Approved
0.6437 Remote Similarity NPD4747 Approved
0.6436 Remote Similarity NPD5210 Approved
0.6436 Remote Similarity NPD4629 Approved
0.6429 Remote Similarity NPD4753 Phase 2
0.6429 Remote Similarity NPD6274 Approved
0.6429 Remote Similarity NPD1695 Approved
0.6422 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6421 Remote Similarity NPD4197 Approved
0.6421 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6415 Remote Similarity NPD5141 Approved
0.6413 Remote Similarity NPD6929 Approved
0.6404 Remote Similarity NPD7101 Approved
0.6404 Remote Similarity NPD7100 Approved
0.6404 Remote Similarity NPD5733 Approved
0.6404 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6395 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6686 Approved
0.6383 Remote Similarity NPD6435 Approved
0.6383 Remote Similarity NPD4269 Approved
0.6383 Remote Similarity NPD4270 Approved
0.6381 Remote Similarity NPD7632 Discontinued
0.6374 Remote Similarity NPD6932 Approved
0.6374 Remote Similarity NPD6116 Phase 1
0.6372 Remote Similarity NPD6009 Approved
0.6364 Remote Similarity NPD5785 Approved
0.6354 Remote Similarity NPD5329 Approved
0.6354 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6348 Remote Similarity NPD6319 Approved
0.6344 Remote Similarity NPD6930 Phase 2
0.6344 Remote Similarity NPD6931 Approved
0.633 Remote Similarity NPD8132 Clinical (unspecified phase)
0.633 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6327 Remote Similarity NPD4518 Approved

Structure

External Identifiers

PubChem CID   10733005
ChEMBL   CHEMBL480260
ZINC  

Physicochemical Properties

Molecular Weight:  300.21
ALogP:  2.2363
MLogP:  3.44
XLogP:  5.353
# Rotatable Bonds:  6
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  22

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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