Natural Product: NPC472389

Natural Product ID:  NPC472389
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H50O8Si
Standard InCHIKey:  CLIVETVICYKYSS-QZMRLLAJSA-N
Standard InCHI:  InChI=1S/C32H50O8Si/c1-12-41(13-2,14-3)40-25-15-16-32(11)27(19(25)5)28(37-20(6)33)23-17-24(36)18(4)26(31(23,9)10)29(38-21(7)34)30(32)39-22(8)35/h23,25,27-30H,5,12-17H2,1-4,6-11H3/t23-,25-,27-,28+,29+,30-,32+/m0/s1
Canonical SMILES:  CC[Si](O[C@H]1CC[C@@]2([C@@H](C1=C)[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 = 91 % 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 NPC472389 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
0.9223 High Similarity NPC472417
0.9223 High Similarity NPC469917
0.8824 High Similarity NPC8196
0.8725 High Similarity NPC137430
0.8641 High Similarity NPC99266
0.8571 High Similarity NPC143609
0.8491 Intermediate Similarity NPC151393
0.8476 Intermediate Similarity NPC111952
0.8447 Intermediate Similarity NPC97435
0.8265 Intermediate Similarity NPC69713
0.8163 Intermediate Similarity NPC102640
0.8148 Intermediate Similarity NPC469916
0.8148 Intermediate Similarity NPC472439
0.8061 Intermediate Similarity NPC102996
0.7864 Intermediate Similarity NPC472360
0.7864 Intermediate Similarity NPC472416
0.7843 Intermediate Similarity NPC473944
0.783 Intermediate Similarity NPC476933
0.7788 Intermediate Similarity NPC471204
0.7788 Intermediate Similarity NPC471786
0.7788 Intermediate Similarity NPC37603
0.7778 Intermediate Similarity NPC254202
0.7767 Intermediate Similarity NPC99653
0.7767 Intermediate Similarity NPC475657
0.7727 Intermediate Similarity NPC112780
0.7714 Intermediate Similarity NPC221801
0.7714 Intermediate Similarity NPC284194
0.7714 Intermediate Similarity NPC471765
0.7714 Intermediate Similarity NPC211810
0.77 Intermediate Similarity NPC220478
0.7699 Intermediate Similarity NPC317687
0.7692 Intermediate Similarity NPC105375
0.7692 Intermediate Similarity NPC470697
0.7692 Intermediate Similarity NPC182826
0.7685 Intermediate Similarity NPC273005
0.7685 Intermediate Similarity NPC469606
0.7685 Intermediate Similarity NPC31058
0.7679 Intermediate Similarity NPC253906
0.767 Intermediate Similarity NPC124374
0.7658 Intermediate Similarity NPC476479
0.7647 Intermediate Similarity NPC261320
0.7647 Intermediate Similarity NPC284561
0.7615 Intermediate Similarity NPC159533
0.7611 Intermediate Similarity NPC317107
0.7589 Intermediate Similarity NPC475586
0.7589 Intermediate Similarity NPC469370
0.7573 Intermediate Similarity NPC48732
0.7573 Intermediate Similarity NPC220216
0.757 Intermediate Similarity NPC264378
0.7568 Intermediate Similarity NPC67321
0.7568 Intermediate Similarity NPC133422
0.7568 Intermediate Similarity NPC471601
0.7568 Intermediate Similarity NPC187435
0.7549 Intermediate Similarity NPC477128
0.7547 Intermediate Similarity NPC129569
0.7545 Intermediate Similarity NPC118911
0.7545 Intermediate Similarity NPC470297
0.7524 Intermediate Similarity NPC477129
0.7524 Intermediate Similarity NPC477130
0.7524 Intermediate Similarity NPC38830
0.7523 Intermediate Similarity NPC476081
0.7523 Intermediate Similarity NPC472552
0.7523 Intermediate Similarity NPC165250
0.7523 Intermediate Similarity NPC295791
0.75 Intermediate Similarity NPC322903
0.75 Intermediate Similarity NPC275539
0.75 Intermediate Similarity NPC110897
0.75 Intermediate Similarity NPC189075
0.7478 Intermediate Similarity NPC470120
0.7477 Intermediate Similarity NPC285513
0.7477 Intermediate Similarity NPC100912
0.7477 Intermediate Similarity NPC469607
0.7477 Intermediate Similarity NPC110937
0.7476 Intermediate Similarity NPC246028
0.7476 Intermediate Similarity NPC73995
0.7459 Intermediate Similarity NPC469742
0.7456 Intermediate Similarity NPC324683
0.7451 Intermediate Similarity NPC471779
0.7451 Intermediate Similarity NPC175293
0.7438 Intermediate Similarity NPC470494
0.7434 Intermediate Similarity NPC273433
0.7434 Intermediate Similarity NPC112457
0.7431 Intermediate Similarity NPC477871
0.7431 Intermediate Similarity NPC477870
0.7431 Intermediate Similarity NPC472554
0.7431 Intermediate Similarity NPC476213
0.7431 Intermediate Similarity NPC476246
0.7426 Intermediate Similarity NPC189311
0.7414 Intermediate Similarity NPC90472
0.7411 Intermediate Similarity NPC180744
0.7411 Intermediate Similarity NPC110496
0.7411 Intermediate Similarity NPC473586
0.7407 Intermediate Similarity NPC471932
0.7407 Intermediate Similarity NPC176845
0.7407 Intermediate Similarity NPC216478
0.7407 Intermediate Similarity NPC72647
0.7407 Intermediate Similarity NPC107806
0.7407 Intermediate Similarity NPC222303
0.7404 Intermediate Similarity NPC212679
0.7404 Intermediate Similarity NPC220454
0.7404 Intermediate Similarity NPC475776
0.7404 Intermediate Similarity NPC152467
0.7404 Intermediate Similarity NPC232202
0.7404 Intermediate Similarity NPC469595
0.74 Intermediate Similarity NPC193198
0.7395 Intermediate Similarity NPC48692
0.7391 Intermediate Similarity NPC236217
0.7391 Intermediate Similarity NPC269530
0.7391 Intermediate Similarity NPC476801
0.7387 Intermediate Similarity NPC65523
0.7387 Intermediate Similarity NPC477127
0.7387 Intermediate Similarity NPC146731
0.7383 Intermediate Similarity NPC202833
0.7379 Intermediate Similarity NPC215831
0.7379 Intermediate Similarity NPC226863
0.7374 Intermediate Similarity NPC25554
0.7373 Intermediate Similarity NPC291564
0.7368 Intermediate Similarity NPC475563
0.7368 Intermediate Similarity NPC83005
0.7368 Intermediate Similarity NPC475134
0.7364 Intermediate Similarity NPC183571
0.7364 Intermediate Similarity NPC476235
0.7364 Intermediate Similarity NPC476126
0.7364 Intermediate Similarity NPC80781
0.7364 Intermediate Similarity NPC162973
0.7358 Intermediate Similarity NPC250075
0.7345 Intermediate Similarity NPC475263
0.7345 Intermediate Similarity NPC476802
0.7345 Intermediate Similarity NPC473939
0.7345 Intermediate Similarity NPC306265
0.7345 Intermediate Similarity NPC88701
0.7345 Intermediate Similarity NPC473595
0.7345 Intermediate Similarity NPC89171
0.7339 Intermediate Similarity NPC473219
0.7339 Intermediate Similarity NPC471413
0.7339 Intermediate Similarity NPC47024
0.7339 Intermediate Similarity NPC271295
0.7339 Intermediate Similarity NPC54705
0.7339 Intermediate Similarity NPC470761
0.7339 Intermediate Similarity NPC472187
0.7339 Intermediate Similarity NPC473545
0.7333 Intermediate Similarity NPC204731
0.7328 Intermediate Similarity NPC75167
0.7328 Intermediate Similarity NPC25909
0.7328 Intermediate Similarity NPC311592
0.7328 Intermediate Similarity NPC159333
0.7327 Intermediate Similarity NPC30486
0.7321 Intermediate Similarity NPC102352
0.7321 Intermediate Similarity NPC470975
0.7321 Intermediate Similarity NPC103088
0.7321 Intermediate Similarity NPC470979
0.7315 Intermediate Similarity NPC311241
0.7315 Intermediate Similarity NPC224356
0.7315 Intermediate Similarity NPC473244
0.7315 Intermediate Similarity NPC38530
0.7315 Intermediate Similarity NPC475446
0.7315 Intermediate Similarity NPC121402
0.7315 Intermediate Similarity NPC254496
0.7315 Intermediate Similarity NPC132753
0.7315 Intermediate Similarity NPC84335
0.7315 Intermediate Similarity NPC175351
0.7315 Intermediate Similarity NPC124246
0.7315 Intermediate Similarity NPC151681
0.7311 Intermediate Similarity NPC470495
0.7311 Intermediate Similarity NPC77689
0.7311 Intermediate Similarity NPC473636
0.7311 Intermediate Similarity NPC475775
0.7311 Intermediate Similarity NPC475520
0.7311 Intermediate Similarity NPC476529
0.7311 Intermediate Similarity NPC475041
0.7304 Intermediate Similarity NPC473921
0.7304 Intermediate Similarity NPC475668
0.7304 Intermediate Similarity NPC475480
0.7304 Intermediate Similarity NPC188738
0.73 Intermediate Similarity NPC471218
0.7297 Intermediate Similarity NPC120321
0.7297 Intermediate Similarity NPC132395
0.7297 Intermediate Similarity NPC471365
0.7297 Intermediate Similarity NPC474165
0.7297 Intermediate Similarity NPC19239
0.7297 Intermediate Similarity NPC478057
0.7297 Intermediate Similarity NPC69171
0.7297 Intermediate Similarity NPC471364
0.7297 Intermediate Similarity NPC474166
0.7297 Intermediate Similarity NPC471208
0.7297 Intermediate Similarity NPC475321
0.7297 Intermediate Similarity NPC95899
0.729 Intermediate Similarity NPC183012
0.7288 Intermediate Similarity NPC473968
0.7288 Intermediate Similarity NPC10721
0.7282 Intermediate Similarity NPC476600
0.7281 Intermediate Similarity NPC472216
0.7281 Intermediate Similarity NPC5475
0.7281 Intermediate Similarity NPC173905
0.7281 Intermediate Similarity NPC284828
0.7273 Intermediate Similarity NPC303559
0.7273 Intermediate Similarity NPC115862
0.7273 Intermediate Similarity NPC471412
0.7273 Intermediate Similarity NPC469802
0.7273 Intermediate Similarity NPC476478

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472389 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
0.7411 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD7900 Approved
0.7217 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD7902 Approved
0.7091 Intermediate Similarity NPD7638 Approved
0.7087 Intermediate Similarity NPD1694 Approved
0.7043 Intermediate Similarity NPD6686 Approved
0.7037 Intermediate Similarity NPD7748 Approved
0.7027 Intermediate Similarity NPD7640 Approved
0.7027 Intermediate Similarity NPD7639 Approved
0.7018 Intermediate Similarity NPD6008 Approved
0.6983 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6961 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6399 Phase 3
0.6916 Remote Similarity NPD6698 Approved
0.6916 Remote Similarity NPD46 Approved
0.686 Remote Similarity NPD7115 Discovery
0.6857 Remote Similarity NPD6409 Approved
0.6857 Remote Similarity NPD7334 Approved
0.6857 Remote Similarity NPD5330 Approved
0.6857 Remote Similarity NPD6684 Approved
0.6857 Remote Similarity NPD7146 Approved
0.6857 Remote Similarity NPD7521 Approved
0.6838 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6786 Remote Similarity NPD4225 Approved
0.6729 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6729 Remote Similarity NPD6903 Approved
0.6729 Remote Similarity NPD6672 Approved
0.6729 Remote Similarity NPD5737 Approved
0.6697 Remote Similarity NPD7515 Phase 2
0.6667 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD8328 Phase 3
0.6609 Remote Similarity NPD7632 Discontinued
0.6562 Remote Similarity NPD7507 Approved
0.6555 Remote Similarity NPD6373 Approved
0.6555 Remote Similarity NPD6372 Approved
0.6545 Remote Similarity NPD5693 Phase 1
0.6525 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6412 Phase 2
0.6518 Remote Similarity NPD6356 Clinical (unspecified phase)
0.65 Remote Similarity NPD6371 Approved
0.6491 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6481 Remote Similarity NPD3573 Approved
0.6475 Remote Similarity NPD8133 Approved
0.6475 Remote Similarity NPD4632 Approved
0.6471 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6455 Remote Similarity NPD7838 Discovery
0.6452 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6446 Remote Similarity NPD6649 Approved
0.6446 Remote Similarity NPD6650 Approved
0.6441 Remote Similarity NPD5739 Approved
0.6441 Remote Similarity NPD6675 Approved
0.6441 Remote Similarity NPD7128 Approved
0.6441 Remote Similarity NPD6402 Approved
0.6439 Remote Similarity NPD7260 Phase 2
0.6436 Remote Similarity NPD8039 Approved
0.6435 Remote Similarity NPD6648 Approved
0.6429 Remote Similarity NPD6319 Approved
0.6412 Remote Similarity NPD7319 Approved
0.6396 Remote Similarity NPD8034 Phase 2
0.6396 Remote Similarity NPD8035 Phase 2
0.6393 Remote Similarity NPD6053 Discontinued
0.6389 Remote Similarity NPD3618 Phase 1
0.6379 Remote Similarity NPD5344 Discontinued
0.6378 Remote Similarity NPD8033 Approved
0.6364 Remote Similarity NPD6080 Approved
0.6364 Remote Similarity NPD6673 Approved
0.6364 Remote Similarity NPD6904 Approved
0.6339 Remote Similarity NPD5779 Approved
0.6339 Remote Similarity NPD5778 Approved
0.6333 Remote Similarity NPD6881 Approved
0.6333 Remote Similarity NPD6899 Approved
0.6333 Remote Similarity NPD7320 Approved
0.632 Remote Similarity NPD6009 Approved
0.6311 Remote Similarity NPD8130 Phase 1
0.6299 Remote Similarity NPD8377 Approved
0.6299 Remote Similarity NPD8294 Approved
0.6279 Remote Similarity NPD7604 Phase 2
0.627 Remote Similarity NPD7328 Approved
0.627 Remote Similarity NPD7327 Approved
0.6269 Remote Similarity NPD6845 Suspended
0.6261 Remote Similarity NPD6083 Phase 2
0.6261 Remote Similarity NPD6084 Phase 2
0.626 Remote Similarity NPD6882 Approved
0.626 Remote Similarity NPD8293 Discontinued
0.625 Remote Similarity NPD8513 Phase 3
0.625 Remote Similarity NPD8516 Approved
0.625 Remote Similarity NPD8515 Approved
0.625 Remote Similarity NPD7983 Approved
0.625 Remote Similarity NPD5701 Approved
0.625 Remote Similarity NPD8296 Approved
0.625 Remote Similarity NPD8380 Approved
0.625 Remote Similarity NPD8378 Approved
0.625 Remote Similarity NPD5983 Phase 2
0.625 Remote Similarity NPD8517 Approved
0.625 Remote Similarity NPD5697 Approved
0.625 Remote Similarity NPD8335 Approved
0.625 Remote Similarity NPD8379 Approved
0.625 Remote Similarity NPD6050 Approved
0.6231 Remote Similarity NPD7492 Approved
0.623 Remote Similarity NPD7102 Approved
0.623 Remote Similarity NPD7290 Approved
0.623 Remote Similarity NPD6883 Approved
0.6228 Remote Similarity NPD5695 Phase 3
0.622 Remote Similarity NPD7516 Approved
0.6216 Remote Similarity NPD6051 Approved
0.6216 Remote Similarity NPD5328 Approved
0.6212 Remote Similarity NPD7736 Approved
0.6207 Remote Similarity NPD5696 Approved
0.6204 Remote Similarity NPD3668 Phase 3
0.6204 Remote Similarity NPD4786 Approved
0.6198 Remote Similarity NPD6011 Approved
0.6183 Remote Similarity NPD6336 Discontinued
0.6183 Remote Similarity NPD6616 Approved
0.6179 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6179 Remote Similarity NPD6617 Approved
0.6179 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6179 Remote Similarity NPD6869 Approved
0.6179 Remote Similarity NPD6847 Approved
0.6172 Remote Similarity NPD6059 Approved
0.6172 Remote Similarity NPD6054 Approved
0.6168 Remote Similarity NPD3667 Approved
0.6161 Remote Similarity NPD5692 Phase 3
0.6161 Remote Similarity NPD5207 Approved
0.6161 Remote Similarity NPD5785 Approved
0.6148 Remote Similarity NPD6012 Approved
0.6148 Remote Similarity NPD6013 Approved
0.6148 Remote Similarity NPD6014 Approved
0.6147 Remote Similarity NPD1733 Clinical (unspecified phase)
0.614 Remote Similarity NPD6001 Approved
0.6136 Remote Similarity NPD7078 Approved
0.6126 Remote Similarity NPD5208 Approved
0.6124 Remote Similarity NPD7503 Approved
0.6106 Remote Similarity NPD5694 Approved
0.6106 Remote Similarity NPD5281 Approved
0.6106 Remote Similarity NPD5284 Approved
0.6106 Remote Similarity NPD6411 Approved
0.6106 Remote Similarity NPD6079 Approved
0.6091 Remote Similarity NPD6098 Approved
0.6087 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6077 Remote Similarity NPD6370 Approved
0.6071 Remote Similarity NPD1695 Approved
0.6071 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6055 Remote Similarity NPD3133 Approved
0.6055 Remote Similarity NPD3665 Phase 1
0.6055 Remote Similarity NPD3666 Approved
0.6053 Remote Similarity NPD4202 Approved
0.6034 Remote Similarity NPD4697 Phase 3
0.6034 Remote Similarity NPD7732 Phase 3
0.6031 Remote Similarity NPD6067 Discontinued
0.6015 Remote Similarity NPD8074 Phase 3
0.6 Remote Similarity NPD5282 Discontinued
0.6 Remote Similarity NPD6016 Approved
0.6 Remote Similarity NPD6015 Approved
0.6 Remote Similarity NPD6921 Approved
0.5983 Remote Similarity NPD4755 Approved
0.5981 Remote Similarity NPD4695 Discontinued
0.5954 Remote Similarity NPD5988 Approved
0.5929 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6101 Approved
0.5917 Remote Similarity NPD5211 Phase 2
0.5897 Remote Similarity NPD5222 Approved
0.5897 Remote Similarity NPD5221 Approved
0.5897 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5891 Remote Similarity NPD6335 Approved
0.5882 Remote Similarity NPD4700 Approved
0.5882 Remote Similarity NPD5285 Approved
0.5882 Remote Similarity NPD5286 Approved
0.5882 Remote Similarity NPD4696 Approved
0.5872 Remote Similarity NPD5209 Approved
0.5868 Remote Similarity NPD6052 Approved
0.5859 Remote Similarity NPD6274 Approved
0.5859 Remote Similarity NPD6868 Approved
0.5856 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5852 Remote Similarity NPD6033 Approved
0.5847 Remote Similarity NPD5173 Approved
0.5846 Remote Similarity NPD7100 Approved
0.5846 Remote Similarity NPD7101 Approved
0.584 Remote Similarity NPD4634 Approved
0.5833 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5833 Remote Similarity NPD5223 Approved
0.5826 Remote Similarity NPD7637 Suspended
0.582 Remote Similarity NPD5141 Approved
0.5814 Remote Similarity NPD6317 Approved
0.5812 Remote Similarity NPD5654 Approved
0.5804 Remote Similarity NPD5279 Phase 3
0.5804 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5804 Remote Similarity NPD4519 Discontinued
0.5804 Remote Similarity NPD4623 Approved
0.5789 Remote Similarity NPD4753 Phase 2
0.5785 Remote Similarity NPD4633 Approved
0.5785 Remote Similarity NPD5224 Approved
0.5785 Remote Similarity NPD5225 Approved
0.5785 Remote Similarity NPD5226 Approved
0.5772 Remote Similarity NPD4767 Approved
0.5772 Remote Similarity NPD4768 Approved
0.5769 Remote Similarity NPD6314 Approved
0.5769 Remote Similarity NPD6313 Approved
0.5766 Remote Similarity NPD6400 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44351534
ChEMBL   CHEMBL339830
ZINC  

Physicochemical Properties

Molecular Weight:  590.33
ALogP:  1.8943
MLogP:  3.99
XLogP:  5.051
# Rotatable Bonds:  21
Polar Surface Area:  105.2
# H-Bond Aceptor:  8
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  41

Download Data

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