Natural Product: NPC267822

Natural Product ID:  NPC267822
Common Name:   Taccalonolide T
IUPAC Name:  
Synonyms:   Taccalonolide T
Molecular Formula:   C39H52O14
Standard InCHIKey:  KZLSRGBNLVIVQO-PKZSBVJESA-N
Standard InCHI:  InChI=1S/C39H52O14/c1-15(2)11-24(43)53-33-29-21(51-29)14-39(47)32(44)30(49-18(5)41)25-20(36(33,39)8)13-22(48-17(4)40)35(7)26-16(3)12-23-37(9,38(10,46)34(45)52-23)28(26)31(27(25)35)50-19(6)42/h12,15-16,20-22,25-31,33,46-47H,11,13-14H2,1-10H3/t16-,20+,21+,22+,25-,26+,27-,28+,29+,30-,31-,33+,35-,36+,37+,38-,39+/m1/s1
Canonical SMILES:  CC(CC(=O)O[C@H]1[C@H]2O[C@H]2C[C@]2([C@@]1(C)[C@H]1C[C@H](OC(=O)C)[C@]3([C@H]([C@@H]1[C@H](C2=O)OC(=O)C)[C@@H](OC(=O)C)[C@@H]1[C@@H]3[C@H](C)C=C2[C@]1(C)[C@](C)(O)C(=O)O2)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
NPO13332 Tacca chantrieri Species Taccaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT165 Cell Line HeLa Homo sapiens IC50 = 335 nM 21800839
NPT165 Cell Line HeLa Homo sapiens IC50 = 335 nM 24959756

  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 NPC267822 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
0.9912 High Similarity NPC169818
0.9825 High Similarity NPC43252
0.9825 High Similarity NPC135038
0.9737 High Similarity NPC65858
0.8621 High Similarity NPC280782
0.8595 High Similarity NPC222688
0.8417 Intermediate Similarity NPC324253
0.8403 Intermediate Similarity NPC40632
0.8403 Intermediate Similarity NPC328374
0.8403 Intermediate Similarity NPC96312
0.8403 Intermediate Similarity NPC251236
0.8319 Intermediate Similarity NPC473798
0.8306 Intermediate Similarity NPC473255
0.8305 Intermediate Similarity NPC90769
0.8279 Intermediate Similarity NPC471406
0.8276 Intermediate Similarity NPC94529
0.8261 Intermediate Similarity NPC475571
0.825 Intermediate Similarity NPC474734
0.8235 Intermediate Similarity NPC202889
0.8235 Intermediate Similarity NPC49451
0.8211 Intermediate Similarity NPC477046
0.8211 Intermediate Similarity NPC102822
0.8203 Intermediate Similarity NPC473519
0.8203 Intermediate Similarity NPC473805
0.8197 Intermediate Similarity NPC470777
0.8197 Intermediate Similarity NPC473203
0.819 Intermediate Similarity NPC59530
0.8189 Intermediate Similarity NPC231529
0.8189 Intermediate Similarity NPC470880
0.8182 Intermediate Similarity NPC474654
0.8182 Intermediate Similarity NPC470854
0.8182 Intermediate Similarity NPC287343
0.8182 Intermediate Similarity NPC97908
0.8182 Intermediate Similarity NPC473590
0.8182 Intermediate Similarity NPC122033
0.8175 Intermediate Similarity NPC470882
0.8175 Intermediate Similarity NPC473253
0.816 Intermediate Similarity NPC475194
0.814 Intermediate Similarity NPC102015
0.813 Intermediate Similarity NPC109973
0.812 Intermediate Similarity NPC258323
0.8115 Intermediate Similarity NPC17772
0.8115 Intermediate Similarity NPC118638
0.811 Intermediate Similarity NPC69273
0.811 Intermediate Similarity NPC293623
0.811 Intermediate Similarity NPC168899
0.8103 Intermediate Similarity NPC196528
0.8103 Intermediate Similarity NPC278628
0.8103 Intermediate Similarity NPC231530
0.8099 Intermediate Similarity NPC235539
0.8099 Intermediate Similarity NPC134869
0.8099 Intermediate Similarity NPC16081
0.8099 Intermediate Similarity NPC173686
0.8099 Intermediate Similarity NPC270958
0.8099 Intermediate Similarity NPC179626
0.8099 Intermediate Similarity NPC152199
0.8099 Intermediate Similarity NPC49492
0.8099 Intermediate Similarity NPC266728
0.8095 Intermediate Similarity NPC473635
0.8083 Intermediate Similarity NPC194100
0.8083 Intermediate Similarity NPC477266
0.8083 Intermediate Similarity NPC198539
0.8083 Intermediate Similarity NPC97002
0.808 Intermediate Similarity NPC227397
0.8067 Intermediate Similarity NPC43775
0.8065 Intermediate Similarity NPC310511
0.8051 Intermediate Similarity NPC27814
0.8033 Intermediate Similarity NPC176513
0.8033 Intermediate Similarity NPC470775
0.8031 Intermediate Similarity NPC473265
0.8017 Intermediate Similarity NPC323821
0.8017 Intermediate Similarity NPC143268
0.8017 Intermediate Similarity NPC45218
0.8017 Intermediate Similarity NPC29705
0.8017 Intermediate Similarity NPC18547
0.8017 Intermediate Similarity NPC268238
0.8017 Intermediate Similarity NPC471293
0.8017 Intermediate Similarity NPC474906
0.8016 Intermediate Similarity NPC469790
0.8015 Intermediate Similarity NPC256618
0.8015 Intermediate Similarity NPC219058
0.8 Intermediate Similarity NPC474516
0.7984 Intermediate Similarity NPC473838
0.7984 Intermediate Similarity NPC251226
0.7984 Intermediate Similarity NPC475389
0.7984 Intermediate Similarity NPC241008
0.7967 Intermediate Similarity NPC470776
0.7967 Intermediate Similarity NPC188667
0.7967 Intermediate Similarity NPC297179
0.7967 Intermediate Similarity NPC204552
0.7953 Intermediate Similarity NPC47113
0.7953 Intermediate Similarity NPC174367
0.7951 Intermediate Similarity NPC259306
0.7951 Intermediate Similarity NPC207217
0.7951 Intermediate Similarity NPC470628
0.7951 Intermediate Similarity NPC474046
0.7939 Intermediate Similarity NPC475376
0.7937 Intermediate Similarity NPC91693
0.7937 Intermediate Similarity NPC473979
0.7937 Intermediate Similarity NPC265557
0.7937 Intermediate Similarity NPC18945
0.7937 Intermediate Similarity NPC105926
0.7934 Intermediate Similarity NPC73300
0.7934 Intermediate Similarity NPC52634
0.7934 Intermediate Similarity NPC250109
0.7934 Intermediate Similarity NPC108721
0.7934 Intermediate Similarity NPC7921
0.7934 Intermediate Similarity NPC208998
0.7934 Intermediate Similarity NPC962
0.7934 Intermediate Similarity NPC317210
0.7931 Intermediate Similarity NPC140723
0.7931 Intermediate Similarity NPC191892
0.7923 Intermediate Similarity NPC471855
0.792 Intermediate Similarity NPC159456
0.792 Intermediate Similarity NPC275675
0.792 Intermediate Similarity NPC4021
0.7917 Intermediate Similarity NPC472003
0.7907 Intermediate Similarity NPC54614
0.7907 Intermediate Similarity NPC309096
0.7903 Intermediate Similarity NPC475041
0.7903 Intermediate Similarity NPC469488
0.7903 Intermediate Similarity NPC42673
0.7891 Intermediate Similarity NPC305496
0.7886 Intermediate Similarity NPC471854
0.7881 Intermediate Similarity NPC144854
0.7881 Intermediate Similarity NPC3316
0.7881 Intermediate Similarity NPC165873
0.7874 Intermediate Similarity NPC476729
0.7874 Intermediate Similarity NPC24651
0.7869 Intermediate Similarity NPC326542
0.7869 Intermediate Similarity NPC469877
0.7869 Intermediate Similarity NPC470919
0.7863 Intermediate Similarity NPC65523
0.7863 Intermediate Similarity NPC328737
0.7857 Intermediate Similarity NPC312833
0.7857 Intermediate Similarity NPC170538
0.7857 Intermediate Similarity NPC269642
0.7851 Intermediate Similarity NPC11252
0.7851 Intermediate Similarity NPC207251
0.7851 Intermediate Similarity NPC170487
0.7851 Intermediate Similarity NPC289312
0.7851 Intermediate Similarity NPC71348
0.7851 Intermediate Similarity NPC472002
0.7845 Intermediate Similarity NPC473928
0.7845 Intermediate Similarity NPC477054
0.784 Intermediate Similarity NPC143755
0.784 Intermediate Similarity NPC268530
0.784 Intermediate Similarity NPC478051
0.784 Intermediate Similarity NPC154491
0.784 Intermediate Similarity NPC112038
0.784 Intermediate Similarity NPC241192
0.7836 Intermediate Similarity NPC290746
0.7836 Intermediate Similarity NPC79250
0.7833 Intermediate Similarity NPC5284
0.7829 Intermediate Similarity NPC475636
0.7829 Intermediate Similarity NPC295220
0.7829 Intermediate Similarity NPC476091
0.7829 Intermediate Similarity NPC188291
0.7829 Intermediate Similarity NPC476078
0.7823 Intermediate Similarity NPC257457
0.7823 Intermediate Similarity NPC311554
0.7823 Intermediate Similarity NPC251310
0.7815 Intermediate Similarity NPC192813
0.7815 Intermediate Similarity NPC277017
0.7815 Intermediate Similarity NPC154608
0.7815 Intermediate Similarity NPC293850
0.7812 Intermediate Similarity NPC293112
0.7812 Intermediate Similarity NPC93368
0.7812 Intermediate Similarity NPC477745
0.7805 Intermediate Similarity NPC298278
0.7797 Intermediate Similarity NPC50535
0.7797 Intermediate Similarity NPC472655
0.7797 Intermediate Similarity NPC477877
0.7797 Intermediate Similarity NPC470587
0.7795 Intermediate Similarity NPC120724
0.7795 Intermediate Similarity NPC67251
0.7795 Intermediate Similarity NPC11895
0.7786 Intermediate Similarity NPC6274
0.7786 Intermediate Similarity NPC42206
0.7786 Intermediate Similarity NPC254146
0.7786 Intermediate Similarity NPC33378
0.7778 Intermediate Similarity NPC470779
0.7778 Intermediate Similarity NPC42675
0.7778 Intermediate Similarity NPC470921
0.7769 Intermediate Similarity NPC201992
0.7769 Intermediate Similarity NPC146945
0.7769 Intermediate Similarity NPC471407
0.7769 Intermediate Similarity NPC214797
0.7769 Intermediate Similarity NPC118860
0.7769 Intermediate Similarity NPC171888
0.7769 Intermediate Similarity NPC470281
0.7769 Intermediate Similarity NPC231589
0.7769 Intermediate Similarity NPC221414
0.776 Intermediate Similarity NPC230513
0.776 Intermediate Similarity NPC161738
0.776 Intermediate Similarity NPC61520
0.776 Intermediate Similarity NPC161065
0.776 Intermediate Similarity NPC473920
0.776 Intermediate Similarity NPC127530
0.776 Intermediate Similarity NPC472667

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC267822 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
0.8 Intermediate Similarity NPD8297 Approved
0.7969 Intermediate Similarity NPD7736 Approved
0.7949 Intermediate Similarity NPD6008 Approved
0.7899 Intermediate Similarity NPD6373 Approved
0.7899 Intermediate Similarity NPD6372 Approved
0.784 Intermediate Similarity NPD6319 Approved
0.7815 Intermediate Similarity NPD7320 Approved
0.7797 Intermediate Similarity NPD5739 Approved
0.7797 Intermediate Similarity NPD6675 Approved
0.7797 Intermediate Similarity NPD7128 Approved
0.7797 Intermediate Similarity NPD6402 Approved
0.7769 Intermediate Similarity NPD6650 Approved
0.7769 Intermediate Similarity NPD6649 Approved
0.7752 Intermediate Similarity NPD8293 Discontinued
0.7734 Intermediate Similarity NPD7492 Approved
0.7698 Intermediate Similarity NPD6054 Approved
0.7698 Intermediate Similarity NPD6059 Approved
0.7674 Intermediate Similarity NPD6616 Approved
0.7667 Intermediate Similarity NPD6881 Approved
0.7667 Intermediate Similarity NPD6899 Approved
0.7642 Intermediate Similarity NPD4632 Approved
0.7623 Intermediate Similarity NPD8130 Phase 1
0.7615 Intermediate Similarity NPD7078 Approved
0.7583 Intermediate Similarity NPD5697 Approved
0.7583 Intermediate Similarity NPD5701 Approved
0.7578 Intermediate Similarity NPD6370 Approved
0.7561 Intermediate Similarity NPD6882 Approved
0.7541 Intermediate Similarity NPD7102 Approved
0.7541 Intermediate Similarity NPD7290 Approved
0.7541 Intermediate Similarity NPD6883 Approved
0.7521 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD7604 Phase 2
0.75 Intermediate Similarity NPD6015 Approved
0.75 Intermediate Similarity NPD6016 Approved
0.748 Intermediate Similarity NPD6847 Approved
0.748 Intermediate Similarity NPD6617 Approved
0.748 Intermediate Similarity NPD6869 Approved
0.746 Intermediate Similarity NPD6009 Approved
0.746 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD6014 Approved
0.7459 Intermediate Similarity NPD6013 Approved
0.7459 Intermediate Similarity NPD6012 Approved
0.7458 Intermediate Similarity NPD1700 Approved
0.7442 Intermediate Similarity NPD5988 Approved
0.7405 Intermediate Similarity NPD7507 Approved
0.7385 Intermediate Similarity NPD8328 Phase 3
0.7377 Intermediate Similarity NPD6011 Approved
0.7368 Intermediate Similarity NPD7319 Approved
0.7364 Intermediate Similarity NPD5983 Phase 2
0.7339 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6336 Discontinued
0.7258 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD7516 Approved
0.7203 Intermediate Similarity NPD4755 Approved
0.7203 Intermediate Similarity NPD6084 Phase 2
0.7203 Intermediate Similarity NPD6083 Phase 2
0.7188 Intermediate Similarity NPD7115 Discovery
0.7177 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD6033 Approved
0.7155 Intermediate Similarity NPD6399 Phase 3
0.7143 Intermediate Similarity NPD5696 Approved
0.7132 Intermediate Similarity NPD7327 Approved
0.7132 Intermediate Similarity NPD7328 Approved
0.712 Intermediate Similarity NPD4634 Approved
0.7109 Intermediate Similarity NPD6274 Approved
0.7083 Intermediate Similarity NPD5286 Approved
0.7083 Intermediate Similarity NPD4700 Approved
0.7083 Intermediate Similarity NPD4696 Approved
0.7083 Intermediate Similarity NPD5285 Approved
0.7077 Intermediate Similarity NPD7101 Approved
0.7077 Intermediate Similarity NPD7100 Approved
0.7034 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD5695 Phase 3
0.7016 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD6412 Phase 2
0.7 Intermediate Similarity NPD6335 Approved
0.6992 Remote Similarity NPD8170 Clinical (unspecified phase)
0.697 Remote Similarity NPD8335 Approved
0.697 Remote Similarity NPD8379 Approved
0.697 Remote Similarity NPD8378 Approved
0.697 Remote Similarity NPD6909 Approved
0.697 Remote Similarity NPD6908 Approved
0.697 Remote Similarity NPD6291 Clinical (unspecified phase)
0.697 Remote Similarity NPD8296 Approved
0.697 Remote Similarity NPD8033 Approved
0.697 Remote Similarity NPD6921 Approved
0.697 Remote Similarity NPD8380 Approved
0.6967 Remote Similarity NPD5226 Approved
0.6967 Remote Similarity NPD4633 Approved
0.6967 Remote Similarity NPD5224 Approved
0.6967 Remote Similarity NPD5225 Approved
0.6967 Remote Similarity NPD5211 Phase 2
0.6935 Remote Similarity NPD4767 Approved
0.6935 Remote Similarity NPD4768 Approved
0.6923 Remote Similarity NPD8035 Phase 2
0.6923 Remote Similarity NPD8034 Phase 2
0.6923 Remote Similarity NPD6317 Approved
0.6917 Remote Similarity NPD7902 Approved
0.6911 Remote Similarity NPD5175 Approved
0.6911 Remote Similarity NPD5174 Approved
0.6894 Remote Similarity NPD8377 Approved
0.6894 Remote Similarity NPD8294 Approved
0.6885 Remote Similarity NPD5223 Approved
0.6875 Remote Similarity NPD6053 Discontinued
0.687 Remote Similarity NPD6313 Approved
0.687 Remote Similarity NPD6314 Approved
0.6855 Remote Similarity NPD5141 Approved
0.6825 Remote Similarity NPD4730 Approved
0.6825 Remote Similarity NPD4729 Approved
0.6822 Remote Similarity NPD8133 Approved
0.6807 Remote Similarity NPD7748 Approved
0.6783 Remote Similarity NPD6098 Approved
0.6774 Remote Similarity NPD4754 Approved
0.6752 Remote Similarity NPD6673 Approved
0.6752 Remote Similarity NPD6904 Approved
0.6752 Remote Similarity NPD6080 Approved
0.6721 Remote Similarity NPD7638 Approved
0.6719 Remote Similarity NPD5251 Approved
0.6719 Remote Similarity NPD5248 Approved
0.6719 Remote Similarity NPD5250 Approved
0.6719 Remote Similarity NPD5249 Phase 3
0.6719 Remote Similarity NPD5247 Approved
0.6716 Remote Similarity NPD7503 Approved
0.6694 Remote Similarity NPD4697 Phase 3
0.6693 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6001 Approved
0.6667 Remote Similarity NPD5737 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD6672 Approved
0.6614 Remote Similarity NPD7899 Clinical (unspecified phase)
0.661 Remote Similarity NPD5328 Approved
0.661 Remote Similarity NPD4753 Phase 2
0.6591 Remote Similarity NPD6868 Approved
0.6583 Remote Similarity NPD4202 Approved
0.6557 Remote Similarity NPD5222 Approved
0.6557 Remote Similarity NPD5221 Approved
0.6557 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6538 Remote Similarity NPD5215 Approved
0.6538 Remote Similarity NPD5216 Approved
0.6538 Remote Similarity NPD5217 Approved
0.6525 Remote Similarity NPD6903 Approved
0.6504 Remote Similarity NPD5173 Approved
0.65 Remote Similarity NPD5693 Phase 1
0.65 Remote Similarity NPD6079 Approved
0.65 Remote Similarity NPD7515 Phase 2
0.65 Remote Similarity NPD6050 Approved
0.6496 Remote Similarity NPD6409 Approved
0.6496 Remote Similarity NPD7521 Approved
0.6496 Remote Similarity NPD6067 Discontinued
0.6496 Remote Similarity NPD7334 Approved
0.6496 Remote Similarity NPD5330 Approved
0.6496 Remote Similarity NPD7146 Approved
0.6496 Remote Similarity NPD6684 Approved
0.6479 Remote Similarity NPD6845 Suspended
0.6475 Remote Similarity NPD5210 Approved
0.6475 Remote Similarity NPD4629 Approved
0.6471 Remote Similarity NPD8513 Phase 3
0.6471 Remote Similarity NPD8516 Approved
0.6471 Remote Similarity NPD8517 Approved
0.6471 Remote Similarity NPD8515 Approved
0.6466 Remote Similarity NPD4786 Approved
0.6462 Remote Similarity NPD5169 Approved
0.6462 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6462 Remote Similarity NPD5135 Approved
0.6454 Remote Similarity NPD5956 Approved
0.6417 Remote Similarity NPD5692 Phase 3
0.6412 Remote Similarity NPD5127 Approved
0.641 Remote Similarity NPD5329 Approved
0.641 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6408 Remote Similarity NPD7260 Phase 2
0.6393 Remote Similarity NPD5282 Discontinued
0.637 Remote Similarity NPD6334 Approved
0.637 Remote Similarity NPD6333 Approved
0.6364 Remote Similarity NPD5284 Approved
0.6364 Remote Similarity NPD5281 Approved
0.6364 Remote Similarity NPD5694 Approved
0.6356 Remote Similarity NPD3618 Phase 1
0.6333 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6325 Remote Similarity NPD4197 Approved
0.6308 Remote Similarity NPD6686 Approved
0.6299 Remote Similarity NPD7632 Discontinued
0.6293 Remote Similarity NPD3667 Approved
0.6288 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6281 Remote Similarity NPD5207 Approved
0.6269 Remote Similarity NPD5167 Approved
0.6265 Remote Similarity NPD7799 Discontinued
0.624 Remote Similarity NPD5959 Approved
0.6228 Remote Similarity NPD6114 Approved
0.6228 Remote Similarity NPD6115 Approved
0.6228 Remote Similarity NPD6697 Approved
0.6228 Remote Similarity NPD6118 Approved
0.622 Remote Similarity NPD5344 Discontinued
0.622 Remote Similarity NPD4159 Approved
0.6218 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6212 Remote Similarity NPD6371 Approved

Structure

External Identifiers

PubChem CID   56658581
ChEMBL   CHEMBL1821843
ZINC  

Physicochemical Properties

Molecular Weight:  744.34
ALogP:  -0.7537
MLogP:  4.21
XLogP:  3.124
# Rotatable Bonds:  22
Polar Surface Area:  201.56
# H-Bond Aceptor:  14
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  53

Download Data

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