Natural Product: NPC472417

Natural Product ID:  NPC472417
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H50O9Si
Standard InCHIKey:  FQUUEVQWEWPIDX-WDQLWULVSA-N
Standard InCHI:  InChI=1S/C32H50O9Si/c1-11-42(12-2,13-3)41-24-14-15-31(10)28(32(24)17-37-32)26(38-19(5)33)22-16-23(36)18(4)25(30(22,8)9)27(39-20(6)34)29(31)40-21(7)35/h22,24,26-29H,11-17H2,1-10H3/t22-,24-,26+,27+,28-,29-,31+,32-/m0/s1
Canonical SMILES:  CC[Si](O[C@H]1CC[C@@]2([C@@H]([C@@]31CO3)[C@H](OC(=O)C)[C@@H]1CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)C)(CC)CC
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
NPO24820 Taxus cuspidata Species Taxaceae Eukaryota Japan PMID[14987066]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 102 % 16137881

  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 NPC472417 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
1.0 High Similarity NPC469917
0.9223 High Similarity NPC472389
0.8868 High Similarity NPC472439
0.8868 High Similarity NPC469916
0.8257 Intermediate Similarity NPC143609
0.8165 Intermediate Similarity NPC111952
0.8148 Intermediate Similarity NPC8196
0.8056 Intermediate Similarity NPC137430
0.8037 Intermediate Similarity NPC271295
0.8036 Intermediate Similarity NPC253906
0.8018 Intermediate Similarity NPC151393
0.7982 Intermediate Similarity NPC99266
0.7946 Intermediate Similarity NPC469370
0.7928 Intermediate Similarity NPC180744
0.7928 Intermediate Similarity NPC112780
0.787 Intermediate Similarity NPC79303
0.7798 Intermediate Similarity NPC97435
0.7768 Intermediate Similarity NPC471601
0.7767 Intermediate Similarity NPC69713
0.7757 Intermediate Similarity NPC129569
0.7748 Intermediate Similarity NPC65523
0.7739 Intermediate Similarity NPC317687
0.7736 Intermediate Similarity NPC105375
0.7736 Intermediate Similarity NPC182826
0.7685 Intermediate Similarity NPC100912
0.7679 Intermediate Similarity NPC470975
0.7679 Intermediate Similarity NPC103088
0.7679 Intermediate Similarity NPC470979
0.7672 Intermediate Similarity NPC33360
0.7672 Intermediate Similarity NPC471204
0.767 Intermediate Similarity NPC102640
0.7658 Intermediate Similarity NPC159533
0.7652 Intermediate Similarity NPC469655
0.7652 Intermediate Similarity NPC469656
0.7652 Intermediate Similarity NPC317107
0.7652 Intermediate Similarity NPC474846
0.7647 Intermediate Similarity NPC470495
0.7632 Intermediate Similarity NPC475586
0.7632 Intermediate Similarity NPC299590
0.7623 Intermediate Similarity NPC470494
0.7615 Intermediate Similarity NPC264378
0.7615 Intermediate Similarity NPC72647
0.7615 Intermediate Similarity NPC107806
0.7589 Intermediate Similarity NPC477127
0.7586 Intermediate Similarity NPC222834
0.7583 Intermediate Similarity NPC251226
0.7573 Intermediate Similarity NPC102996
0.757 Intermediate Similarity NPC38830
0.7568 Intermediate Similarity NPC472552
0.7568 Intermediate Similarity NPC165250
0.7568 Intermediate Similarity NPC295791
0.7565 Intermediate Similarity NPC472214
0.7565 Intermediate Similarity NPC472215
0.7561 Intermediate Similarity NPC473635
0.7547 Intermediate Similarity NPC473944
0.7545 Intermediate Similarity NPC188968
0.7544 Intermediate Similarity NPC473939
0.7544 Intermediate Similarity NPC473595
0.7544 Intermediate Similarity NPC94942
0.7544 Intermediate Similarity NPC322903
0.7542 Intermediate Similarity NPC470793
0.7523 Intermediate Similarity NPC475446
0.7523 Intermediate Similarity NPC311241
0.7521 Intermediate Similarity NPC204731
0.7521 Intermediate Similarity NPC310511
0.7521 Intermediate Similarity NPC159456
0.7521 Intermediate Similarity NPC477126
0.7521 Intermediate Similarity NPC4021
0.75 Intermediate Similarity NPC475520
0.7479 Intermediate Similarity NPC10721
0.7479 Intermediate Similarity NPC469684
0.7478 Intermediate Similarity NPC471934
0.7477 Intermediate Similarity NPC472554
0.7459 Intermediate Similarity NPC470265
0.7459 Intermediate Similarity NPC23786
0.7456 Intermediate Similarity NPC474716
0.7456 Intermediate Similarity NPC475510
0.7456 Intermediate Similarity NPC475587
0.7456 Intermediate Similarity NPC67321
0.7456 Intermediate Similarity NPC187435
0.7455 Intermediate Similarity NPC222303
0.7438 Intermediate Similarity NPC268530
0.7438 Intermediate Similarity NPC154491
0.7436 Intermediate Similarity NPC471933
0.7436 Intermediate Similarity NPC42658
0.7436 Intermediate Similarity NPC269530
0.7434 Intermediate Similarity NPC146731
0.7431 Intermediate Similarity NPC221801
0.7431 Intermediate Similarity NPC475380
0.7431 Intermediate Similarity NPC209297
0.7431 Intermediate Similarity NPC284194
0.7431 Intermediate Similarity NPC211810
0.7431 Intermediate Similarity NPC471765
0.7417 Intermediate Similarity NPC146280
0.7417 Intermediate Similarity NPC124676
0.7417 Intermediate Similarity NPC240509
0.7417 Intermediate Similarity NPC473720
0.7411 Intermediate Similarity NPC476081
0.7407 Intermediate Similarity NPC470697
0.7407 Intermediate Similarity NPC140277
0.7407 Intermediate Similarity NPC472360
0.7407 Intermediate Similarity NPC472416
0.7395 Intermediate Similarity NPC477509
0.7395 Intermediate Similarity NPC471127
0.7395 Intermediate Similarity NPC154363
0.7395 Intermediate Similarity NPC234858
0.7391 Intermediate Similarity NPC476479
0.7391 Intermediate Similarity NPC94377
0.7387 Intermediate Similarity NPC476933
0.7377 Intermediate Similarity NPC52839
0.7377 Intermediate Similarity NPC67569
0.7373 Intermediate Similarity NPC25909
0.7373 Intermediate Similarity NPC470120
0.7373 Intermediate Similarity NPC159333
0.7364 Intermediate Similarity NPC472418
0.7355 Intermediate Similarity NPC473636
0.7355 Intermediate Similarity NPC77689
0.7355 Intermediate Similarity NPC472667
0.7355 Intermediate Similarity NPC470186
0.7355 Intermediate Similarity NPC42673
0.735 Intermediate Similarity NPC194619
0.7345 Intermediate Similarity NPC474166
0.7345 Intermediate Similarity NPC254202
0.7345 Intermediate Similarity NPC165608
0.7345 Intermediate Similarity NPC19239
0.7339 Intermediate Similarity NPC469790
0.7339 Intermediate Similarity NPC471786
0.7339 Intermediate Similarity NPC37603
0.7333 Intermediate Similarity NPC98249
0.7333 Intermediate Similarity NPC58662
0.7333 Intermediate Similarity NPC53396
0.7333 Intermediate Similarity NPC13713
0.7333 Intermediate Similarity NPC471779
0.7328 Intermediate Similarity NPC273433
0.7317 Intermediate Similarity NPC170538
0.7317 Intermediate Similarity NPC162009
0.7317 Intermediate Similarity NPC257017
0.7315 Intermediate Similarity NPC99653
0.7311 Intermediate Similarity NPC90472
0.7311 Intermediate Similarity NPC73314
0.7304 Intermediate Similarity NPC473173
0.7304 Intermediate Similarity NPC473586
0.7304 Intermediate Similarity NPC471783
0.7304 Intermediate Similarity NPC469318
0.7304 Intermediate Similarity NPC9457
0.7295 Intermediate Similarity NPC4548
0.7295 Intermediate Similarity NPC471128
0.7295 Intermediate Similarity NPC471126
0.7295 Intermediate Similarity NPC145182
0.7295 Intermediate Similarity NPC48692
0.7295 Intermediate Similarity NPC472759
0.7295 Intermediate Similarity NPC157252
0.7295 Intermediate Similarity NPC329080
0.729 Intermediate Similarity NPC161638
0.7288 Intermediate Similarity NPC472002
0.7281 Intermediate Similarity NPC118911
0.7281 Intermediate Similarity NPC296950
0.728 Intermediate Similarity NPC293112
0.728 Intermediate Similarity NPC120994
0.728 Intermediate Similarity NPC203702
0.7273 Intermediate Similarity NPC194132
0.7273 Intermediate Similarity NPC291564
0.7273 Intermediate Similarity NPC470420
0.7273 Intermediate Similarity NPC284707
0.7265 Intermediate Similarity NPC281624
0.7265 Intermediate Similarity NPC473975
0.7265 Intermediate Similarity NPC473594
0.7265 Intermediate Similarity NPC473843
0.7265 Intermediate Similarity NPC474586
0.7258 Intermediate Similarity NPC469789
0.7258 Intermediate Similarity NPC11895
0.7257 Intermediate Similarity NPC80781
0.7257 Intermediate Similarity NPC469316
0.725 Intermediate Similarity NPC270478
0.725 Intermediate Similarity NPC243981
0.7248 Intermediate Similarity NPC477439
0.7241 Intermediate Similarity NPC325054
0.7241 Intermediate Similarity NPC306265
0.7241 Intermediate Similarity NPC475263
0.7232 Intermediate Similarity NPC470761
0.7232 Intermediate Similarity NPC473219
0.7232 Intermediate Similarity NPC110897
0.7227 Intermediate Similarity NPC75167
0.7227 Intermediate Similarity NPC474937
0.7227 Intermediate Similarity NPC472757
0.7227 Intermediate Similarity NPC311592
0.7222 Intermediate Similarity NPC42399
0.7222 Intermediate Similarity NPC124374
0.7222 Intermediate Similarity NPC49420
0.7217 Intermediate Similarity NPC477090
0.7213 Intermediate Similarity NPC22628
0.7213 Intermediate Similarity NPC5989
0.7213 Intermediate Similarity NPC475041
0.7213 Intermediate Similarity NPC211093
0.7213 Intermediate Similarity NPC275696
0.7213 Intermediate Similarity NPC236918
0.7213 Intermediate Similarity NPC5991
0.7213 Intermediate Similarity NPC471108
0.7213 Intermediate Similarity NPC476529
0.7213 Intermediate Similarity NPC473839

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472417 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
0.8091 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7876 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD6008 Approved
0.7049 Intermediate Similarity NPD7115 Discovery
0.7034 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.6937 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6937 Remote Similarity NPD7900 Approved
0.6822 Remote Similarity NPD1694 Approved
0.6818 Remote Similarity NPD46 Approved
0.6818 Remote Similarity NPD6698 Approved
0.6783 Remote Similarity NPD6648 Approved
0.6754 Remote Similarity NPD7902 Approved
0.6724 Remote Similarity NPD5344 Discontinued
0.6696 Remote Similarity NPD7638 Approved
0.6667 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6686 Approved
0.6638 Remote Similarity NPD7640 Approved
0.6638 Remote Similarity NPD7639 Approved
0.6637 Remote Similarity NPD7748 Approved
0.6585 Remote Similarity NPD8297 Approved
0.6552 Remote Similarity NPD4225 Approved
0.6525 Remote Similarity NPD7632 Discontinued
0.6508 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6489 Remote Similarity NPD7507 Approved
0.6475 Remote Similarity NPD6372 Approved
0.6475 Remote Similarity NPD6373 Approved
0.6462 Remote Similarity NPD8328 Phase 3
0.6435 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6423 Remote Similarity NPD6371 Approved
0.6404 Remote Similarity NPD6399 Phase 3
0.6389 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6372 Remote Similarity NPD7838 Discovery
0.6371 Remote Similarity NPD6650 Approved
0.6371 Remote Similarity NPD6649 Approved
0.6364 Remote Similarity NPD6675 Approved
0.6364 Remote Similarity NPD5739 Approved
0.6364 Remote Similarity NPD7128 Approved
0.6364 Remote Similarity NPD6402 Approved
0.6357 Remote Similarity NPD6319 Approved
0.6343 Remote Similarity NPD7319 Approved
0.6316 Remote Similarity NPD7515 Phase 2
0.6311 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6308 Remote Similarity NPD8033 Approved
0.6306 Remote Similarity NPD7521 Approved
0.6306 Remote Similarity NPD7334 Approved
0.6306 Remote Similarity NPD6684 Approved
0.6306 Remote Similarity NPD7146 Approved
0.6306 Remote Similarity NPD5330 Approved
0.6306 Remote Similarity NPD6409 Approved
0.6279 Remote Similarity NPD7516 Approved
0.627 Remote Similarity NPD4632 Approved
0.627 Remote Similarity NPD8133 Approved
0.626 Remote Similarity NPD6881 Approved
0.626 Remote Similarity NPD7320 Approved
0.626 Remote Similarity NPD6899 Approved
0.625 Remote Similarity NPD3573 Approved
0.624 Remote Similarity NPD8130 Phase 1
0.6231 Remote Similarity NPD8294 Approved
0.6231 Remote Similarity NPD8377 Approved
0.6216 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6212 Remote Similarity NPD7604 Phase 2
0.6202 Remote Similarity NPD7328 Approved
0.6202 Remote Similarity NPD7327 Approved
0.6195 Remote Similarity NPD6672 Approved
0.6195 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6195 Remote Similarity NPD6903 Approved
0.6195 Remote Similarity NPD5737 Approved
0.6194 Remote Similarity NPD8293 Discontinued
0.619 Remote Similarity NPD6053 Discontinued
0.619 Remote Similarity NPD6882 Approved
0.6183 Remote Similarity NPD8513 Phase 3
0.6183 Remote Similarity NPD8515 Approved
0.6183 Remote Similarity NPD8516 Approved
0.6183 Remote Similarity NPD6921 Approved
0.6183 Remote Similarity NPD8296 Approved
0.6183 Remote Similarity NPD8335 Approved
0.6183 Remote Similarity NPD8517 Approved
0.6183 Remote Similarity NPD8380 Approved
0.6183 Remote Similarity NPD8379 Approved
0.6183 Remote Similarity NPD8378 Approved
0.6179 Remote Similarity NPD5697 Approved
0.6179 Remote Similarity NPD5701 Approved
0.6179 Remote Similarity NPD6412 Phase 2
0.6174 Remote Similarity NPD5693 Phase 1
0.6165 Remote Similarity NPD7492 Approved
0.616 Remote Similarity NPD6883 Approved
0.616 Remote Similarity NPD7290 Approved
0.616 Remote Similarity NPD7102 Approved
0.6148 Remote Similarity NPD7736 Approved
0.614 Remote Similarity NPD1695 Approved
0.6134 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6131 Remote Similarity NPD7260 Phase 2
0.6124 Remote Similarity NPD6009 Approved
0.6119 Remote Similarity NPD6616 Approved
0.6111 Remote Similarity NPD6847 Approved
0.6111 Remote Similarity NPD6617 Approved
0.6111 Remote Similarity NPD6869 Approved
0.6107 Remote Similarity NPD6059 Approved
0.6107 Remote Similarity NPD6054 Approved
0.6087 Remote Similarity NPD6845 Suspended
0.608 Remote Similarity NPD6014 Approved
0.608 Remote Similarity NPD6012 Approved
0.608 Remote Similarity NPD6013 Approved
0.6074 Remote Similarity NPD7078 Approved
0.6068 Remote Similarity NPD6001 Approved
0.6061 Remote Similarity NPD5983 Phase 2
0.6061 Remote Similarity NPD7503 Approved
0.605 Remote Similarity NPD6084 Phase 2
0.605 Remote Similarity NPD6083 Phase 2
0.6034 Remote Similarity NPD8035 Phase 2
0.6034 Remote Similarity NPD8034 Phase 2
0.6018 Remote Similarity NPD3618 Phase 1
0.6017 Remote Similarity NPD5695 Phase 3
0.6015 Remote Similarity NPD6370 Approved
0.6 Remote Similarity NPD6080 Approved
0.6 Remote Similarity NPD6673 Approved
0.6 Remote Similarity NPD5696 Approved
0.6 Remote Similarity NPD6011 Approved
0.6 Remote Similarity NPD6904 Approved
0.6 Remote Similarity NPD6336 Discontinued
0.5984 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5984 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5983 Remote Similarity NPD5779 Approved
0.5983 Remote Similarity NPD5778 Approved
0.5956 Remote Similarity NPD8074 Phase 3
0.594 Remote Similarity NPD6016 Approved
0.594 Remote Similarity NPD6015 Approved
0.5917 Remote Similarity NPD4755 Approved
0.5897 Remote Similarity NPD6050 Approved
0.5897 Remote Similarity NPD7983 Approved
0.5896 Remote Similarity NPD5988 Approved
0.5888 Remote Similarity NPD8039 Approved
0.5862 Remote Similarity NPD5328 Approved
0.5862 Remote Similarity NPD6051 Approved
0.5854 Remote Similarity NPD5211 Phase 2
0.5847 Remote Similarity NPD4202 Approved
0.582 Remote Similarity NPD4700 Approved
0.582 Remote Similarity NPD5285 Approved
0.582 Remote Similarity NPD4696 Approved
0.582 Remote Similarity NPD5286 Approved
0.5812 Remote Similarity NPD5692 Phase 3
0.5812 Remote Similarity NPD5207 Approved
0.5802 Remote Similarity NPD6274 Approved
0.5798 Remote Similarity NPD5282 Discontinued
0.5789 Remote Similarity NPD7101 Approved
0.5789 Remote Similarity NPD7100 Approved
0.5781 Remote Similarity NPD4634 Approved
0.5776 Remote Similarity NPD5208 Approved
0.5772 Remote Similarity NPD4159 Approved
0.5763 Remote Similarity NPD5281 Approved
0.5763 Remote Similarity NPD5694 Approved
0.5763 Remote Similarity NPD6411 Approved
0.5763 Remote Similarity NPD6079 Approved
0.5763 Remote Similarity NPD5284 Approved
0.576 Remote Similarity NPD5141 Approved
0.575 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5739 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5739 Remote Similarity NPD6098 Approved
0.5735 Remote Similarity NPD6067 Discontinued
0.5726 Remote Similarity NPD5226 Approved
0.5726 Remote Similarity NPD5224 Approved
0.5726 Remote Similarity NPD5225 Approved
0.5726 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5726 Remote Similarity NPD4633 Approved
0.5714 Remote Similarity NPD6335 Approved
0.5714 Remote Similarity NPD4767 Approved
0.5714 Remote Similarity NPD4768 Approved
0.5704 Remote Similarity NPD6908 Approved
0.5704 Remote Similarity NPD6909 Approved
0.5702 Remote Similarity NPD3668 Phase 3
0.5702 Remote Similarity NPD7732 Phase 3
0.5702 Remote Similarity NPD4786 Approved
0.5702 Remote Similarity NPD4697 Phase 3
0.5683 Remote Similarity NPD6033 Approved
0.568 Remote Similarity NPD5175 Approved
0.568 Remote Similarity NPD5174 Approved
0.5678 Remote Similarity NPD3168 Discontinued
0.5678 Remote Similarity NPD5785 Approved
0.5664 Remote Similarity NPD3667 Approved
0.5656 Remote Similarity NPD5959 Approved
0.5645 Remote Similarity NPD5223 Approved
0.5645 Remote Similarity NPD1700 Approved
0.5639 Remote Similarity NPD6317 Approved
0.5625 Remote Similarity NPD4729 Approved
0.5625 Remote Similarity NPD4730 Approved
0.562 Remote Similarity NPD5654 Approved
0.562 Remote Similarity NPD7642 Approved

Structure

External Identifiers

PubChem CID   15378583
ChEMBL   CHEMBL340253
ZINC  

Physicochemical Properties

Molecular Weight:  606.32
ALogP:  1.0516
MLogP:  3.88
XLogP:  4.682
# Rotatable Bonds:  21
Polar Surface Area:  117.73
# H-Bond Aceptor:  9
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  42

Download Data

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