Natural Product: NPC9942

Natural Product ID:  NPC9942
Common Name:  
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H34O2
Standard InCHIKey:  JGBAOJFZQJIUKE-QKMNUUQDSA-N
Standard InCHI:  InChI=1S/C20H34O2/c1-7-19(5,22)11-10-16-14(2)8-9-17-18(3,4)12-15(21)13-20(16,17)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16-,17-,19+,20+/m1/s1
Canonical SMILES:  C=C[C@@](CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)C[C@H](O)CC2(C)C)(O)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
NPO33694 Ligularia f ischeri Species Asteraceae Eukaryota leaves and roots Baoji, Shanxi Province, China 2013-AUG PMID[28783337]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT7283 Cell Line Human B Lymphoblastoid Cells Homo sapiens IC50 = 31.4 ± 0.9 µM 28783337

  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 NPC9942 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
0.9531 High Similarity NPC476406
0.8955 High Similarity NPC245795
0.8955 High Similarity NPC276616
0.8923 High Similarity NPC68656
0.8906 High Similarity NPC41160
0.8873 High Similarity NPC265588
0.8857 High Similarity NPC306727
0.8857 High Similarity NPC476366
0.8857 High Similarity NPC201048
0.8841 High Similarity NPC167706
0.8824 High Similarity NPC210323
0.8788 High Similarity NPC258595
0.875 High Similarity NPC470758
0.875 High Similarity NPC470711
0.8714 High Similarity NPC68443
0.8676 High Similarity NPC2648
0.8657 High Similarity NPC475897
0.8636 High Similarity NPC101128
0.8636 High Similarity NPC144650
0.8611 High Similarity NPC470749
0.8611 High Similarity NPC253190
0.8611 High Similarity NPC63958
0.8592 High Similarity NPC477138
0.8592 High Similarity NPC91858
0.8592 High Similarity NPC243342
0.8592 High Similarity NPC476736
0.8571 High Similarity NPC242001
0.8533 High Similarity NPC249423
0.8529 High Similarity NPC69649
0.8529 High Similarity NPC88454
0.8529 High Similarity NPC185874
0.8529 High Similarity NPC253303
0.8529 High Similarity NPC139207
0.8529 High Similarity NPC101307
0.8529 High Similarity NPC269077
0.8529 High Similarity NPC117607
0.8529 High Similarity NPC68703
0.8507 High Similarity NPC64123
0.8493 Intermediate Similarity NPC91594
0.8472 Intermediate Similarity NPC144075
0.8472 Intermediate Similarity NPC291503
0.8472 Intermediate Similarity NPC32832
0.8472 Intermediate Similarity NPC185536
0.8451 Intermediate Similarity NPC471799
0.8451 Intermediate Similarity NPC182717
0.8429 Intermediate Similarity NPC34834
0.8429 Intermediate Similarity NPC145498
0.8429 Intermediate Similarity NPC283316
0.8421 Intermediate Similarity NPC218616
0.8421 Intermediate Similarity NPC296701
0.8406 Intermediate Similarity NPC244790
0.8406 Intermediate Similarity NPC471238
0.84 Intermediate Similarity NPC241290
0.84 Intermediate Similarity NPC164840
0.84 Intermediate Similarity NPC209944
0.84 Intermediate Similarity NPC96362
0.8378 Intermediate Similarity NPC11908
0.8378 Intermediate Similarity NPC167891
0.8378 Intermediate Similarity NPC301707
0.8378 Intermediate Similarity NPC472501
0.8378 Intermediate Similarity NPC472342
0.8378 Intermediate Similarity NPC476314
0.8378 Intermediate Similarity NPC83351
0.8356 Intermediate Similarity NPC38141
0.8333 Intermediate Similarity NPC469533
0.8333 Intermediate Similarity NPC469593
0.8333 Intermediate Similarity NPC469534
0.8333 Intermediate Similarity NPC471797
0.831 Intermediate Similarity NPC471272
0.8289 Intermediate Similarity NPC476646
0.8289 Intermediate Similarity NPC264245
0.8267 Intermediate Similarity NPC30986
0.8267 Intermediate Similarity NPC209430
0.8243 Intermediate Similarity NPC307336
0.8243 Intermediate Similarity NPC248830
0.8243 Intermediate Similarity NPC331618
0.8243 Intermediate Similarity NPC260301
0.8243 Intermediate Similarity NPC119355
0.8243 Intermediate Similarity NPC212241
0.8243 Intermediate Similarity NPC138502
0.8243 Intermediate Similarity NPC471798
0.8243 Intermediate Similarity NPC169994
0.8243 Intermediate Similarity NPC257191
0.8235 Intermediate Similarity NPC172613
0.8235 Intermediate Similarity NPC282619
0.8235 Intermediate Similarity NPC11555
0.8235 Intermediate Similarity NPC208198
0.8235 Intermediate Similarity NPC60837
0.8235 Intermediate Similarity NPC2728
0.8219 Intermediate Similarity NPC3403
0.8219 Intermediate Similarity NPC477923
0.8219 Intermediate Similarity NPC103822
0.8219 Intermediate Similarity NPC66566
0.8194 Intermediate Similarity NPC211009
0.8194 Intermediate Similarity NPC472506
0.8194 Intermediate Similarity NPC476609
0.8182 Intermediate Similarity NPC87489
0.8182 Intermediate Similarity NPC155521
0.8182 Intermediate Similarity NPC49964
0.8169 Intermediate Similarity NPC45296
0.8158 Intermediate Similarity NPC234193
0.8158 Intermediate Similarity NPC295131
0.8158 Intermediate Similarity NPC281880
0.8143 Intermediate Similarity NPC208999
0.8143 Intermediate Similarity NPC266578
0.8143 Intermediate Similarity NPC96484
0.8133 Intermediate Similarity NPC472500
0.8133 Intermediate Similarity NPC285761
0.8133 Intermediate Similarity NPC472499
0.8133 Intermediate Similarity NPC474216
0.8116 Intermediate Similarity NPC149680
0.8116 Intermediate Similarity NPC473929
0.8116 Intermediate Similarity NPC279434
0.8108 Intermediate Similarity NPC129165
0.8108 Intermediate Similarity NPC134330
0.8108 Intermediate Similarity NPC477925
0.8108 Intermediate Similarity NPC106432
0.8108 Intermediate Similarity NPC91573
0.8108 Intermediate Similarity NPC274079
0.8101 Intermediate Similarity NPC164424
0.8088 Intermediate Similarity NPC225415
0.8082 Intermediate Similarity NPC308440
0.8082 Intermediate Similarity NPC472503
0.8082 Intermediate Similarity NPC100334
0.8077 Intermediate Similarity NPC82623
0.8056 Intermediate Similarity NPC110799
0.8056 Intermediate Similarity NPC111234
0.8056 Intermediate Similarity NPC164022
0.8056 Intermediate Similarity NPC23954
0.8056 Intermediate Similarity NPC301226
0.8056 Intermediate Similarity NPC477792
0.8056 Intermediate Similarity NPC471268
0.8056 Intermediate Similarity NPC164045
0.8056 Intermediate Similarity NPC471271
0.8052 Intermediate Similarity NPC159148
0.8052 Intermediate Similarity NPC47761
0.8028 Intermediate Similarity NPC234511
0.8028 Intermediate Similarity NPC471560
0.8028 Intermediate Similarity NPC476431
0.8026 Intermediate Similarity NPC47982
0.8026 Intermediate Similarity NPC476367
0.8026 Intermediate Similarity NPC81306
0.8026 Intermediate Similarity NPC80530
0.8026 Intermediate Similarity NPC291379
0.8026 Intermediate Similarity NPC84694
0.8026 Intermediate Similarity NPC273410
0.8026 Intermediate Similarity NPC24504
0.8026 Intermediate Similarity NPC109546
0.8026 Intermediate Similarity NPC476316
0.8026 Intermediate Similarity NPC28862
0.8026 Intermediate Similarity NPC143182
0.8026 Intermediate Similarity NPC72755
0.8 Intermediate Similarity NPC318495
0.8 Intermediate Similarity NPC477924
0.8 Intermediate Similarity NPC472805
0.8 Intermediate Similarity NPC155986
0.8 Intermediate Similarity NPC90979
0.8 Intermediate Similarity NPC198968
0.8 Intermediate Similarity NPC261266
0.8 Intermediate Similarity NPC40394
0.8 Intermediate Similarity NPC157996
0.8 Intermediate Similarity NPC101475
0.8 Intermediate Similarity NPC34177
0.8 Intermediate Similarity NPC197805
0.7975 Intermediate Similarity NPC205845
0.7975 Intermediate Similarity NPC470077
0.7975 Intermediate Similarity NPC474047
0.7975 Intermediate Similarity NPC238485
0.7975 Intermediate Similarity NPC231310
0.7973 Intermediate Similarity NPC104387
0.7973 Intermediate Similarity NPC69383
0.7973 Intermediate Similarity NPC212879
0.7973 Intermediate Similarity NPC471723
0.7973 Intermediate Similarity NPC313179
0.7973 Intermediate Similarity NPC240235
0.7973 Intermediate Similarity NPC70982
0.7973 Intermediate Similarity NPC231256
0.7973 Intermediate Similarity NPC178383
0.7973 Intermediate Similarity NPC257347
0.7973 Intermediate Similarity NPC476605
0.7973 Intermediate Similarity NPC141071
0.7973 Intermediate Similarity NPC171148
0.7973 Intermediate Similarity NPC230704
0.7949 Intermediate Similarity NPC50964
0.7949 Intermediate Similarity NPC2524
0.7945 Intermediate Similarity NPC130665
0.7945 Intermediate Similarity NPC220939
0.7945 Intermediate Similarity NPC95165
0.7945 Intermediate Similarity NPC265485
0.7945 Intermediate Similarity NPC195489
0.7922 Intermediate Similarity NPC102253
0.7922 Intermediate Similarity NPC47149
0.7922 Intermediate Similarity NPC287749
0.7922 Intermediate Similarity NPC13554
0.7922 Intermediate Similarity NPC236237
0.7922 Intermediate Similarity NPC322313
0.7917 Intermediate Similarity NPC92801
0.7895 Intermediate Similarity NPC137587
0.7895 Intermediate Similarity NPC158662
0.7895 Intermediate Similarity NPC22955

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC9942 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
0.7973 Intermediate Similarity NPD8264 Approved
0.7922 Intermediate Similarity NPD7525 Registered
0.7838 Intermediate Similarity NPD6924 Approved
0.7838 Intermediate Similarity NPD6926 Approved
0.7792 Intermediate Similarity NPD7645 Phase 2
0.7733 Intermediate Similarity NPD7339 Approved
0.7733 Intermediate Similarity NPD6942 Approved
0.7692 Intermediate Similarity NPD6930 Phase 2
0.7692 Intermediate Similarity NPD6931 Approved
0.7662 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD6933 Approved
0.7632 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD7152 Approved
0.7568 Intermediate Similarity NPD7150 Approved
0.7568 Intermediate Similarity NPD7151 Approved
0.7564 Intermediate Similarity NPD6929 Approved
0.7468 Intermediate Similarity NPD7514 Phase 3
0.7468 Intermediate Similarity NPD7509 Discontinued
0.7468 Intermediate Similarity NPD7332 Phase 2
0.7436 Intermediate Similarity NPD7145 Approved
0.7432 Intermediate Similarity NPD7144 Approved
0.7432 Intermediate Similarity NPD7143 Approved
0.7407 Intermediate Similarity NPD6695 Phase 3
0.7317 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD6932 Approved
0.7308 Intermediate Similarity NPD5776 Phase 2
0.7308 Intermediate Similarity NPD6925 Approved
0.7297 Intermediate Similarity NPD6922 Approved
0.7297 Intermediate Similarity NPD6923 Approved
0.7262 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD6893 Approved
0.716 Intermediate Similarity NPD6898 Phase 1
0.716 Intermediate Similarity NPD6902 Approved
0.7143 Intermediate Similarity NPD4785 Approved
0.7143 Intermediate Similarity NPD4784 Approved
0.7108 Intermediate Similarity NPD4786 Approved
0.7105 Intermediate Similarity NPD4243 Approved
0.7073 Intermediate Similarity NPD3667 Approved
0.7059 Intermediate Similarity NPD7750 Discontinued
0.7059 Intermediate Similarity NPD7524 Approved
0.7024 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.6941 Remote Similarity NPD3618 Phase 1
0.6932 Remote Similarity NPD6079 Approved
0.6914 Remote Similarity NPD6683 Phase 2
0.6897 Remote Similarity NPD5328 Approved
0.6842 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6829 Remote Similarity NPD4748 Discontinued
0.6806 Remote Similarity NPD368 Approved
0.6786 Remote Similarity NPD4788 Approved
0.6753 Remote Similarity NPD4787 Phase 1
0.6742 Remote Similarity NPD7087 Discontinued
0.6742 Remote Similarity NPD7515 Phase 2
0.6707 Remote Similarity NPD4195 Approved
0.6706 Remote Similarity NPD3665 Phase 1
0.6706 Remote Similarity NPD3133 Approved
0.6706 Remote Similarity NPD3666 Approved
0.6667 Remote Similarity NPD4202 Approved
0.6632 Remote Similarity NPD5211 Phase 2
0.6625 Remote Similarity NPD5275 Approved
0.6625 Remote Similarity NPD4190 Phase 3
0.6596 Remote Similarity NPD7639 Approved
0.6596 Remote Similarity NPD7640 Approved
0.6552 Remote Similarity NPD4519 Discontinued
0.6552 Remote Similarity NPD4623 Approved
0.6495 Remote Similarity NPD5141 Approved
0.6489 Remote Similarity NPD7638 Approved
0.6489 Remote Similarity NPD4225 Approved
0.6456 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6456 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6452 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6452 Remote Similarity NPD5221 Approved
0.6452 Remote Similarity NPD5222 Approved
0.6444 Remote Similarity NPD7136 Phase 2
0.6429 Remote Similarity NPD342 Phase 1
0.6421 Remote Similarity NPD5285 Approved
0.6421 Remote Similarity NPD5286 Approved
0.6421 Remote Similarity NPD4696 Approved
0.6413 Remote Similarity NPD7748 Approved
0.641 Remote Similarity NPD3700 Clinical (unspecified phase)
0.641 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6383 Remote Similarity NPD4755 Approved
0.6383 Remote Similarity NPD5173 Approved
0.6375 Remote Similarity NPD4732 Discontinued
0.6374 Remote Similarity NPD8034 Phase 2
0.6374 Remote Similarity NPD8035 Phase 2
0.6374 Remote Similarity NPD7637 Suspended
0.6364 Remote Similarity NPD5279 Phase 3
0.6354 Remote Similarity NPD5223 Approved
0.6338 Remote Similarity NPD4219 Approved
0.6333 Remote Similarity NPD4753 Phase 2
0.6322 Remote Similarity NPD3668 Phase 3
0.6316 Remote Similarity NPD5290 Discontinued
0.6304 Remote Similarity NPD6399 Phase 3
0.6296 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6289 Remote Similarity NPD5225 Approved
0.6289 Remote Similarity NPD5226 Approved
0.6289 Remote Similarity NPD4633 Approved
0.6289 Remote Similarity NPD5224 Approved
0.6279 Remote Similarity NPD4223 Phase 3
0.6279 Remote Similarity NPD4221 Approved
0.6277 Remote Similarity NPD4697 Phase 3
0.625 Remote Similarity NPD5329 Approved
0.625 Remote Similarity NPD4700 Approved
0.6235 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6235 Remote Similarity NPD4695 Discontinued
0.6224 Remote Similarity NPD5174 Approved
0.6224 Remote Similarity NPD5175 Approved
0.6212 Remote Similarity NPD385 Approved
0.6212 Remote Similarity NPD384 Approved
0.6211 Remote Similarity NPD7902 Approved
0.6196 Remote Similarity NPD6411 Approved
0.619 Remote Similarity NPD5784 Clinical (unspecified phase)
0.617 Remote Similarity NPD4629 Approved
0.617 Remote Similarity NPD5210 Approved
0.6154 Remote Similarity NPD6051 Approved
0.6145 Remote Similarity NPD6117 Approved
0.6139 Remote Similarity NPD6881 Approved
0.6139 Remote Similarity NPD6899 Approved
0.6136 Remote Similarity NPD4197 Approved
0.6129 Remote Similarity NPD5778 Approved
0.6129 Remote Similarity NPD5779 Approved
0.6125 Remote Similarity NPD4244 Approved
0.6125 Remote Similarity NPD4245 Approved
0.6104 Remote Similarity NPD3171 Clinical (unspecified phase)
0.61 Remote Similarity NPD5739 Approved
0.61 Remote Similarity NPD6402 Approved
0.61 Remote Similarity NPD7128 Approved
0.61 Remote Similarity NPD6675 Approved
0.6076 Remote Similarity NPD5360 Phase 3
0.6076 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6071 Remote Similarity NPD6116 Phase 1
0.6067 Remote Similarity NPD1696 Phase 3
0.6061 Remote Similarity NPD4754 Approved
0.6047 Remote Similarity NPD4821 Approved
0.6047 Remote Similarity NPD4820 Approved
0.6047 Remote Similarity NPD4822 Approved
0.6047 Remote Similarity NPD4819 Approved
0.6042 Remote Similarity NPD6083 Phase 2
0.6042 Remote Similarity NPD6084 Phase 2
0.604 Remote Similarity NPD5697 Approved
0.6029 Remote Similarity NPD9410 Clinical (unspecified phase)
0.6024 Remote Similarity NPD3703 Phase 2
0.602 Remote Similarity NPD5344 Discontinued
0.6019 Remote Similarity NPD7102 Approved
0.6019 Remote Similarity NPD7290 Approved
0.6019 Remote Similarity NPD6883 Approved
0.6 Remote Similarity NPD3698 Phase 2
0.6 Remote Similarity NPD5330 Approved
0.6 Remote Similarity NPD6697 Approved
0.6 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6 Remote Similarity NPD6115 Approved
0.6 Remote Similarity NPD4138 Approved
0.6 Remote Similarity NPD5690 Phase 2
0.6 Remote Similarity NPD6118 Approved
0.6 Remote Similarity NPD6114 Approved
0.6 Remote Similarity NPD4688 Approved
0.6 Remote Similarity NPD1145 Discontinued
0.6 Remote Similarity NPD6684 Approved
0.6 Remote Similarity NPD5205 Approved
0.6 Remote Similarity NPD4693 Phase 3
0.6 Remote Similarity NPD7334 Approved
0.6 Remote Similarity NPD7146 Approved
0.6 Remote Similarity NPD4690 Approved
0.6 Remote Similarity NPD7521 Approved
0.6 Remote Similarity NPD6409 Approved
0.6 Remote Similarity NPD4689 Approved
0.5981 Remote Similarity NPD7115 Discovery
0.598 Remote Similarity NPD4729 Approved
0.598 Remote Similarity NPD6011 Approved
0.598 Remote Similarity NPD5345 Clinical (unspecified phase)
0.598 Remote Similarity NPD7320 Approved
0.598 Remote Similarity NPD4730 Approved
0.5978 Remote Similarity NPD6101 Approved
0.5978 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5962 Remote Similarity NPD6617 Approved
0.5962 Remote Similarity NPD8130 Phase 1
0.5962 Remote Similarity NPD6650 Approved
0.5962 Remote Similarity NPD6847 Approved
0.5962 Remote Similarity NPD6649 Approved
0.5962 Remote Similarity NPD6869 Approved
0.596 Remote Similarity NPD7632 Discontinued
0.5941 Remote Similarity NPD4768 Approved
0.5941 Remote Similarity NPD4767 Approved
0.5934 Remote Similarity NPD3573 Approved
0.5926 Remote Similarity NPD4789 Approved
0.5922 Remote Similarity NPD6372 Approved
0.5922 Remote Similarity NPD6014 Approved
0.5922 Remote Similarity NPD6013 Approved
0.5922 Remote Similarity NPD6373 Approved
0.5922 Remote Similarity NPD6012 Approved
0.5909 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5905 Remote Similarity NPD8297 Approved
0.5905 Remote Similarity NPD6882 Approved
0.5895 Remote Similarity NPD7900 Approved
0.5895 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5882 Remote Similarity NPD5701 Approved
0.5875 Remote Similarity NPD6705 Phase 1
0.587 Remote Similarity NPD4723 Approved
0.587 Remote Similarity NPD7513 Clinical (unspecified phase)
0.587 Remote Similarity NPD4722 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  306.26
ALogP:  2.2816
MLogP:  3.44
XLogP:  5.159
# Rotatable Bonds:  10
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  22

Download Data

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