Natural Product: NPC198209

Natural Product ID:  NPC198209
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H24O7S
Standard InCHIKey:  JBOCKXJDIJBMIP-QLNKURTRSA-N
Standard InCHI:  InChI=1S/C20H24O7S/c1-17-6-5-7-18(2)13(17)12(26-16(18)22)14-20(27-14)10(17)8-11(21)25-15(20)19(3,23)9-28(4)24/h5,7-8,12-15,23H,6,9H2,1-4H3/t12-,13+,14+,15+,17+,18-,19-,20-,28-/m0/s1
Canonical SMILES:  C[S@](=O)C[C@@]([C@H]1OC(=O)C=C2[C@]31O[C@@H]3[C@H]1OC(=O)[C@@]3([C@H]1[C@]2(C)CC=C3)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
NPO27558.1 Podocarpus macrophyllus var. maki Varieties Podocarpaceae Eukaryota PMID[12608867]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 = 0.23 ug/ml 17958396
NPT168 Cell Line P388 Mus musculus IC50 = 0.52 ug/ml 17958396

  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 NPC198209 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
0.8696 High Similarity NPC469370
0.8655 High Similarity NPC469684
0.8583 High Similarity NPC284707
0.8547 High Similarity NPC469655
0.8547 High Similarity NPC469656
0.8547 High Similarity NPC474846
0.85 High Similarity NPC53396
0.85 High Similarity NPC98249
0.8362 Intermediate Similarity NPC180744
0.8347 Intermediate Similarity NPC58662
0.8347 Intermediate Similarity NPC13713
0.8305 Intermediate Similarity NPC253906
0.816 Intermediate Similarity NPC170538
0.811 Intermediate Similarity NPC293112
0.811 Intermediate Similarity NPC473635
0.8095 Intermediate Similarity NPC11895
0.8049 Intermediate Similarity NPC478204
0.8031 Intermediate Similarity NPC81736
0.8031 Intermediate Similarity NPC172154
0.8017 Intermediate Similarity NPC222834
0.8017 Intermediate Similarity NPC472002
0.8017 Intermediate Similarity NPC269530
0.8 Intermediate Similarity NPC5103
0.7984 Intermediate Similarity NPC478205
0.7984 Intermediate Similarity NPC108581
0.7984 Intermediate Similarity NPC478206
0.7967 Intermediate Similarity NPC179626
0.7966 Intermediate Similarity NPC469607
0.7953 Intermediate Similarity NPC469789
0.7951 Intermediate Similarity NPC471204
0.7951 Intermediate Similarity NPC475966
0.7934 Intermediate Similarity NPC179798
0.7934 Intermediate Similarity NPC304180
0.7903 Intermediate Similarity NPC473590
0.7891 Intermediate Similarity NPC8369
0.7857 Intermediate Similarity NPC143755
0.7851 Intermediate Similarity NPC472215
0.7851 Intermediate Similarity NPC472214
0.7823 Intermediate Similarity NPC270478
0.7815 Intermediate Similarity NPC102352
0.7812 Intermediate Similarity NPC67251
0.7805 Intermediate Similarity NPC56448
0.7805 Intermediate Similarity NPC49451
0.7805 Intermediate Similarity NPC477126
0.7805 Intermediate Similarity NPC469463
0.7805 Intermediate Similarity NPC469454
0.7805 Intermediate Similarity NPC478212
0.7805 Intermediate Similarity NPC469496
0.7805 Intermediate Similarity NPC25909
0.7795 Intermediate Similarity NPC310511
0.7795 Intermediate Similarity NPC67569
0.7787 Intermediate Similarity NPC188738
0.7787 Intermediate Similarity NPC97939
0.7787 Intermediate Similarity NPC247031
0.7787 Intermediate Similarity NPC132790
0.7787 Intermediate Similarity NPC100329
0.7778 Intermediate Similarity NPC472667
0.7778 Intermediate Similarity NPC475041
0.7778 Intermediate Similarity NPC470186
0.7769 Intermediate Similarity NPC299590
0.7769 Intermediate Similarity NPC478210
0.776 Intermediate Similarity NPC473968
0.7752 Intermediate Similarity NPC24651
0.775 Intermediate Similarity NPC230541
0.775 Intermediate Similarity NPC3316
0.775 Intermediate Similarity NPC67321
0.775 Intermediate Similarity NPC144854
0.775 Intermediate Similarity NPC187435
0.7742 Intermediate Similarity NPC117712
0.7734 Intermediate Similarity NPC470265
0.7734 Intermediate Similarity NPC312833
0.7734 Intermediate Similarity NPC23786
0.7731 Intermediate Similarity NPC258532
0.7731 Intermediate Similarity NPC146731
0.7724 Intermediate Similarity NPC474516
0.7717 Intermediate Similarity NPC154491
0.7717 Intermediate Similarity NPC474585
0.7717 Intermediate Similarity NPC268530
0.7717 Intermediate Similarity NPC251226
0.7712 Intermediate Similarity NPC469606
0.7712 Intermediate Similarity NPC472552
0.7712 Intermediate Similarity NPC31058
0.7712 Intermediate Similarity NPC273005
0.7712 Intermediate Similarity NPC295791
0.7705 Intermediate Similarity NPC478211
0.7698 Intermediate Similarity NPC124676
0.7698 Intermediate Similarity NPC153440
0.7698 Intermediate Similarity NPC146280
0.7686 Intermediate Similarity NPC154608
0.7686 Intermediate Similarity NPC192813
0.7686 Intermediate Similarity NPC277017
0.7686 Intermediate Similarity NPC469916
0.7686 Intermediate Similarity NPC472439
0.7686 Intermediate Similarity NPC189075
0.7686 Intermediate Similarity NPC275539
0.768 Intermediate Similarity NPC474734
0.768 Intermediate Similarity NPC96312
0.768 Intermediate Similarity NPC328374
0.768 Intermediate Similarity NPC176840
0.768 Intermediate Similarity NPC207217
0.768 Intermediate Similarity NPC190286
0.768 Intermediate Similarity NPC40632
0.768 Intermediate Similarity NPC477509
0.768 Intermediate Similarity NPC251236
0.7674 Intermediate Similarity NPC105926
0.7674 Intermediate Similarity NPC91693
0.7674 Intermediate Similarity NPC265557
0.7674 Intermediate Similarity NPC18945
0.7667 Intermediate Similarity NPC477125
0.7656 Intermediate Similarity NPC159456
0.7656 Intermediate Similarity NPC102822
0.7656 Intermediate Similarity NPC4021
0.7656 Intermediate Similarity NPC477046
0.7647 Intermediate Similarity NPC23584
0.7642 Intermediate Similarity NPC474229
0.7638 Intermediate Similarity NPC473636
0.7638 Intermediate Similarity NPC5292
0.7638 Intermediate Similarity NPC77689
0.7638 Intermediate Similarity NPC475775
0.7638 Intermediate Similarity NPC305260
0.7638 Intermediate Similarity NPC476529
0.7638 Intermediate Similarity NPC475520
0.7638 Intermediate Similarity NPC270850
0.7638 Intermediate Similarity NPC42673
0.7627 Intermediate Similarity NPC472554
0.7623 Intermediate Similarity NPC5475
0.7623 Intermediate Similarity NPC143706
0.7623 Intermediate Similarity NPC173905
0.7623 Intermediate Similarity NPC141350
0.7623 Intermediate Similarity NPC284828
0.7623 Intermediate Similarity NPC472534
0.7623 Intermediate Similarity NPC472216
0.7619 Intermediate Similarity NPC470775
0.7619 Intermediate Similarity NPC134430
0.7619 Intermediate Similarity NPC284068
0.7619 Intermediate Similarity NPC97908
0.7619 Intermediate Similarity NPC470854
0.7619 Intermediate Similarity NPC122033
0.7619 Intermediate Similarity NPC474654
0.7619 Intermediate Similarity NPC176513
0.7619 Intermediate Similarity NPC23046
0.7619 Intermediate Similarity NPC287343
0.7615 Intermediate Similarity NPC476729
0.7607 Intermediate Similarity NPC222303
0.7607 Intermediate Similarity NPC216478
0.7603 Intermediate Similarity NPC110496
0.76 Intermediate Similarity NPC473798
0.76 Intermediate Similarity NPC73314
0.7597 Intermediate Similarity NPC269642
0.7583 Intermediate Similarity NPC477127
0.7583 Intermediate Similarity NPC296950
0.7583 Intermediate Similarity NPC65523
0.7581 Intermediate Similarity NPC476801
0.7581 Intermediate Similarity NPC42658
0.7578 Intermediate Similarity NPC79579
0.7578 Intermediate Similarity NPC475003
0.7578 Intermediate Similarity NPC475885
0.7578 Intermediate Similarity NPC109607
0.7578 Intermediate Similarity NPC107338
0.7563 Intermediate Similarity NPC11956
0.7563 Intermediate Similarity NPC476081
0.7561 Intermediate Similarity NPC210005
0.7561 Intermediate Similarity NPC478209
0.7561 Intermediate Similarity NPC474567
0.7559 Intermediate Similarity NPC50774
0.7559 Intermediate Similarity NPC470776
0.7559 Intermediate Similarity NPC251310
0.7559 Intermediate Similarity NPC186525
0.7559 Intermediate Similarity NPC240509
0.7559 Intermediate Similarity NPC17772
0.7559 Intermediate Similarity NPC709
0.7557 Intermediate Similarity NPC120994
0.7557 Intermediate Similarity NPC203702
0.7557 Intermediate Similarity NPC181999
0.7557 Intermediate Similarity NPC225049
0.7542 Intermediate Similarity NPC47024
0.7541 Intermediate Similarity NPC306265
0.7541 Intermediate Similarity NPC94377
0.754 Intermediate Similarity NPC478216
0.754 Intermediate Similarity NPC471816
0.754 Intermediate Similarity NPC154363
0.754 Intermediate Similarity NPC471127
0.754 Intermediate Similarity NPC234858
0.7538 Intermediate Similarity NPC120724
0.7538 Intermediate Similarity NPC473979
0.7521 Intermediate Similarity NPC478208
0.7521 Intermediate Similarity NPC470263
0.752 Intermediate Similarity NPC51978
0.752 Intermediate Similarity NPC317210
0.7519 Intermediate Similarity NPC231529
0.7519 Intermediate Similarity NPC473593
0.7519 Intermediate Similarity NPC46570
0.7519 Intermediate Similarity NPC470779
0.75 Intermediate Similarity NPC236918
0.75 Intermediate Similarity NPC230513
0.75 Intermediate Similarity NPC156745
0.75 Intermediate Similarity NPC211093
0.75 Intermediate Similarity NPC317107
0.75 Intermediate Similarity NPC61442
0.75 Intermediate Similarity NPC159533

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC198209 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
0.7769 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7705 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD7115 Discovery
0.7459 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD6008 Approved
0.712 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD6317 Approved
0.7049 Intermediate Similarity NPD5344 Discontinued
0.7025 Intermediate Similarity NPD4225 Approved
0.6977 Remote Similarity NPD4632 Approved
0.6953 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6917 Remote Similarity NPD6319 Approved
0.6912 Remote Similarity NPD7507 Approved
0.6885 Remote Similarity NPD7638 Approved
0.6884 Remote Similarity NPD7319 Approved
0.6866 Remote Similarity NPD8513 Phase 3
0.685 Remote Similarity NPD6686 Approved
0.6829 Remote Similarity NPD7640 Approved
0.6829 Remote Similarity NPD6648 Approved
0.6829 Remote Similarity NPD7639 Approved
0.6772 Remote Similarity NPD5697 Approved
0.6769 Remote Similarity NPD8297 Approved
0.6769 Remote Similarity NPD6053 Discontinued
0.6765 Remote Similarity NPD6067 Discontinued
0.6744 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6744 Remote Similarity NPD5135 Approved
0.6741 Remote Similarity NPD8516 Approved
0.6741 Remote Similarity NPD8515 Approved
0.6741 Remote Similarity NPD8517 Approved
0.6723 Remote Similarity NPD46 Approved
0.6723 Remote Similarity NPD6698 Approved
0.6719 Remote Similarity NPD6881 Approved
0.6719 Remote Similarity NPD6899 Approved
0.6715 Remote Similarity NPD7492 Approved
0.6693 Remote Similarity NPD6675 Approved
0.6693 Remote Similarity NPD7128 Approved
0.6693 Remote Similarity NPD6402 Approved
0.6693 Remote Similarity NPD5739 Approved
0.6692 Remote Similarity NPD6649 Approved
0.6692 Remote Similarity NPD6650 Approved
0.6692 Remote Similarity NPD6009 Approved
0.6667 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD6616 Approved
0.6667 Remote Similarity NPD6014 Approved
0.6667 Remote Similarity NPD6013 Approved
0.6667 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD4754 Approved
0.6642 Remote Similarity NPD7604 Phase 2
0.6641 Remote Similarity NPD5701 Approved
0.6619 Remote Similarity NPD7078 Approved
0.6618 Remote Similarity NPD6015 Approved
0.6618 Remote Similarity NPD6016 Approved
0.6618 Remote Similarity NPD5983 Phase 2
0.6615 Remote Similarity NPD7290 Approved
0.6615 Remote Similarity NPD6883 Approved
0.6615 Remote Similarity NPD7102 Approved
0.6593 Remote Similarity NPD7516 Approved
0.6589 Remote Similarity NPD7320 Approved
0.6589 Remote Similarity NPD6011 Approved
0.6581 Remote Similarity NPD1694 Approved
0.6571 Remote Similarity NPD7736 Approved
0.6569 Remote Similarity NPD5988 Approved
0.6569 Remote Similarity NPD6370 Approved
0.6565 Remote Similarity NPD6847 Approved
0.6565 Remote Similarity NPD6869 Approved
0.6565 Remote Similarity NPD6617 Approved
0.6565 Remote Similarity NPD8130 Phase 1
0.6544 Remote Similarity NPD6059 Approved
0.6532 Remote Similarity NPD7902 Approved
0.6522 Remote Similarity NPD8328 Phase 3
0.6519 Remote Similarity NPD7328 Approved
0.6519 Remote Similarity NPD7327 Approved
0.6515 Remote Similarity NPD6882 Approved
0.65 Remote Similarity NPD8293 Discontinued
0.65 Remote Similarity NPD8074 Phase 3
0.6496 Remote Similarity NPD7503 Approved
0.6496 Remote Similarity NPD6921 Approved
0.6489 Remote Similarity NPD4634 Approved
0.6489 Remote Similarity NPD6371 Approved
0.6475 Remote Similarity NPD6399 Phase 3
0.6457 Remote Similarity NPD5211 Phase 2
0.6441 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6439 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6434 Remote Similarity NPD7260 Phase 2
0.6429 Remote Similarity NPD5286 Approved
0.6429 Remote Similarity NPD6336 Discontinued
0.6429 Remote Similarity NPD5285 Approved
0.6429 Remote Similarity NPD4696 Approved
0.6423 Remote Similarity NPD7748 Approved
0.6412 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6406 Remote Similarity NPD6052 Approved
0.64 Remote Similarity NPD4755 Approved
0.6385 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6385 Remote Similarity NPD6412 Phase 2
0.6377 Remote Similarity NPD8296 Approved
0.6377 Remote Similarity NPD8380 Approved
0.6377 Remote Similarity NPD8335 Approved
0.6377 Remote Similarity NPD8379 Approved
0.6377 Remote Similarity NPD8033 Approved
0.6377 Remote Similarity NPD8378 Approved
0.6371 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6357 Remote Similarity NPD5141 Approved
0.6341 Remote Similarity NPD5778 Approved
0.6341 Remote Similarity NPD5779 Approved
0.6333 Remote Similarity NPD3573 Approved
0.6328 Remote Similarity NPD5226 Approved
0.6328 Remote Similarity NPD5224 Approved
0.6328 Remote Similarity NPD4633 Approved
0.6328 Remote Similarity NPD7632 Discontinued
0.6328 Remote Similarity NPD5225 Approved
0.6324 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6311 Remote Similarity NPD7838 Discovery
0.6304 Remote Similarity NPD8294 Approved
0.6304 Remote Similarity NPD8377 Approved
0.6299 Remote Similarity NPD4700 Approved
0.629 Remote Similarity NPD7900 Approved
0.629 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6279 Remote Similarity NPD5174 Approved
0.6279 Remote Similarity NPD5175 Approved
0.626 Remote Similarity NPD6079 Approved
0.626 Remote Similarity NPD6411 Approved
0.626 Remote Similarity NPD7515 Phase 2
0.625 Remote Similarity NPD6422 Discontinued
0.625 Remote Similarity NPD3618 Phase 1
0.625 Remote Similarity NPD6274 Approved
0.625 Remote Similarity NPD5223 Approved
0.624 Remote Similarity NPD5695 Phase 3
0.624 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6232 Remote Similarity NPD7101 Approved
0.6232 Remote Similarity NPD7100 Approved
0.623 Remote Similarity NPD5328 Approved
0.6222 Remote Similarity NPD8133 Approved
0.622 Remote Similarity NPD5696 Approved
0.619 Remote Similarity NPD5220 Clinical (unspecified phase)
0.619 Remote Similarity NPD4697 Phase 3
0.619 Remote Similarity NPD5221 Approved
0.619 Remote Similarity NPD5222 Approved
0.6186 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6169 Remote Similarity NPD7625 Phase 1
0.6164 Remote Similarity NPD6845 Suspended
0.616 Remote Similarity NPD5282 Discontinued
0.6159 Remote Similarity NPD6313 Approved
0.6159 Remote Similarity NPD6335 Approved
0.6159 Remote Similarity NPD6314 Approved
0.6142 Remote Similarity NPD6084 Phase 2
0.6142 Remote Similarity NPD6083 Phase 2
0.6142 Remote Similarity NPD5173 Approved
0.6129 Remote Similarity NPD7983 Approved
0.6129 Remote Similarity NPD5284 Approved
0.6129 Remote Similarity NPD5281 Approved
0.6111 Remote Similarity NPD6033 Approved
0.6098 Remote Similarity NPD6101 Approved
0.6098 Remote Similarity NPD1695 Approved
0.6098 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6094 Remote Similarity NPD5290 Discontinued
0.609 Remote Similarity NPD4729 Approved
0.609 Remote Similarity NPD4730 Approved
0.608 Remote Similarity NPD4202 Approved
0.6061 Remote Similarity NPD4767 Approved
0.6061 Remote Similarity NPD4768 Approved
0.6032 Remote Similarity NPD6001 Approved
0.6028 Remote Similarity NPD6908 Approved
0.6028 Remote Similarity NPD6909 Approved
0.6014 Remote Similarity NPD6868 Approved
0.6 Remote Similarity NPD8034 Phase 2
0.6 Remote Similarity NPD5250 Approved
0.6 Remote Similarity NPD1700 Approved
0.6 Remote Similarity NPD5248 Approved
0.6 Remote Similarity NPD5247 Approved
0.6 Remote Similarity NPD8035 Phase 2
0.6 Remote Similarity NPD5251 Approved
0.6 Remote Similarity NPD5693 Phase 1
0.6 Remote Similarity NPD4159 Approved
0.6 Remote Similarity NPD5249 Phase 3
0.5984 Remote Similarity NPD5330 Approved
0.5984 Remote Similarity NPD7521 Approved
0.5984 Remote Similarity NPD6409 Approved
0.5984 Remote Similarity NPD7146 Approved
0.5984 Remote Similarity NPD7334 Approved
0.5984 Remote Similarity NPD6684 Approved
0.597 Remote Similarity NPD5128 Approved
0.5969 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5956 Remote Similarity NPD5217 Approved
0.5956 Remote Similarity NPD5215 Approved
0.5956 Remote Similarity NPD5216 Approved
0.5952 Remote Similarity NPD7229 Phase 3
0.592 Remote Similarity NPD5207 Approved
0.592 Remote Similarity NPD7136 Phase 2
0.5917 Remote Similarity NPD3667 Approved
0.5887 Remote Similarity NPD7519 Approved
0.5887 Remote Similarity NPD6672 Approved
0.5887 Remote Similarity NPD7518 Approved
0.5887 Remote Similarity NPD5737 Approved
0.5887 Remote Similarity NPD6903 Approved
0.5887 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5887 Remote Similarity NPD7517 Approved
0.5882 Remote Similarity NPD5169 Approved

Structure

External Identifiers

PubChem CID   10364100
ChEMBL   CHEMBL460334
ZINC  

Physicochemical Properties

Molecular Weight:  408.12
ALogP:  -0.1174
MLogP:  2.78
XLogP:  -0.343
# Rotatable Bonds:  8
Polar Surface Area:  121.64
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  28

Download Data

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