Natural Product: NPC43252

Natural Product ID:  NPC43252
Common Name:   Taccalonolide Ab
IUPAC Name:  
Synonyms:   Taccalonolide AB
Molecular Formula:   C34H44O14
Standard InCHIKey:  RBNQHZWCHFIXOW-UUXMOSEOSA-N
Standard InCHI:  InChI=1S/C34H44O14/c1-11-9-16-31(6,33(8,42)29(41)48-16)21-18(11)30(5)19(23(21)39)17-20(25(44-12(2)35)27(30)45-13(3)36)32(7)28(46-14(4)37)24-15(47-24)10-34(32,43)26(40)22(17)38/h9,11,15,17-25,27-28,38-39,42-43H,10H2,1-8H3/t11-,15+,17+,18+,19-,20-,21+,22-,23-,24+,25+,27+,28+,30-,31+,32+,33-,34+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1[C@@H](OC(=O)C)[C@H]2[C@H]([C@H]3[C@@]1(C)[C@H]1[C@H](C)C=C4[C@]([C@@H]1[C@@H]3O)(C)[C@](C)(O)C(=O)O4)[C@@H](O)C(=O)[C@@]1([C@]2(C)[C@@H](OC(=O)C)[C@H]2O[C@H]2C1)O
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 = 2767 nM 21800839
NPT165 Cell Line HeLa Homo sapiens IC50 = 2767 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 NPC43252 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 NPC135038
0.9912 High Similarity NPC65858
0.9825 High Similarity NPC267822
0.9739 High Similarity NPC169818
0.8783 High Similarity NPC280782
0.875 High Similarity NPC222688
0.8455 Intermediate Similarity NPC473255
0.8435 Intermediate Similarity NPC94529
0.843 Intermediate Similarity NPC471406
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
0.839 Intermediate Similarity NPC49451
0.8361 Intermediate Similarity NPC102822
0.8361 Intermediate Similarity NPC477046
0.8348 Intermediate Similarity NPC59530
0.8346 Intermediate Similarity NPC473805
0.8346 Intermediate Similarity NPC473519
0.8333 Intermediate Similarity NPC470854
0.8333 Intermediate Similarity NPC474654
0.8333 Intermediate Similarity NPC97908
0.8333 Intermediate Similarity NPC231529
0.8333 Intermediate Similarity NPC287343
0.8333 Intermediate Similarity NPC122033
0.8333 Intermediate Similarity NPC470880
0.832 Intermediate Similarity NPC470882
0.832 Intermediate Similarity NPC473253
0.8319 Intermediate Similarity NPC473798
0.8305 Intermediate Similarity NPC90769
0.8281 Intermediate Similarity NPC102015
0.8279 Intermediate Similarity NPC109973
0.8261 Intermediate Similarity NPC231530
0.8261 Intermediate Similarity NPC196528
0.8261 Intermediate Similarity NPC278628
0.825 Intermediate Similarity NPC49492
0.825 Intermediate Similarity NPC179626
0.825 Intermediate Similarity NPC474734
0.825 Intermediate Similarity NPC266728
0.8235 Intermediate Similarity NPC202889
0.8235 Intermediate Similarity NPC97002
0.8235 Intermediate Similarity NPC194100
0.8197 Intermediate Similarity NPC470777
0.8197 Intermediate Similarity NPC473203
0.8182 Intermediate Similarity NPC176513
0.8182 Intermediate Similarity NPC470775
0.8182 Intermediate Similarity NPC473590
0.8175 Intermediate Similarity NPC473265
0.8174 Intermediate Similarity NPC29705
0.8174 Intermediate Similarity NPC471293
0.816 Intermediate Similarity NPC475194
0.816 Intermediate Similarity NPC469790
0.8151 Intermediate Similarity NPC474516
0.813 Intermediate Similarity NPC251226
0.8125 Intermediate Similarity NPC473838
0.8125 Intermediate Similarity NPC475389
0.812 Intermediate Similarity NPC258323
0.8115 Intermediate Similarity NPC17772
0.8115 Intermediate Similarity NPC204552
0.8115 Intermediate Similarity NPC118638
0.8115 Intermediate Similarity NPC188667
0.811 Intermediate Similarity NPC69273
0.811 Intermediate Similarity NPC293623
0.811 Intermediate Similarity NPC168899
0.8103 Intermediate Similarity NPC475571
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 NPC207217
0.8099 Intermediate Similarity NPC152199
0.8095 Intermediate Similarity NPC174367
0.8095 Intermediate Similarity NPC473635
0.8095 Intermediate Similarity NPC47113
0.8087 Intermediate Similarity NPC191892
0.8087 Intermediate Similarity NPC140723
0.8083 Intermediate Similarity NPC7921
0.8083 Intermediate Similarity NPC477266
0.8083 Intermediate Similarity NPC250109
0.8083 Intermediate Similarity NPC52634
0.8083 Intermediate Similarity NPC962
0.8083 Intermediate Similarity NPC198539
0.8083 Intermediate Similarity NPC73300
0.8083 Intermediate Similarity NPC208998
0.8083 Intermediate Similarity NPC317210
0.8083 Intermediate Similarity NPC108721
0.808 Intermediate Similarity NPC473979
0.808 Intermediate Similarity NPC227397
0.8067 Intermediate Similarity NPC472003
0.8067 Intermediate Similarity NPC43775
0.8065 Intermediate Similarity NPC159456
0.8065 Intermediate Similarity NPC310511
0.8065 Intermediate Similarity NPC4021
0.8062 Intermediate Similarity NPC471855
0.8051 Intermediate Similarity NPC27814
0.8049 Intermediate Similarity NPC42673
0.8049 Intermediate Similarity NPC475041
0.8049 Intermediate Similarity NPC469488
0.8034 Intermediate Similarity NPC144854
0.8034 Intermediate Similarity NPC165873
0.8034 Intermediate Similarity NPC3316
0.8033 Intermediate Similarity NPC471854
0.8031 Intermediate Similarity NPC305496
0.8017 Intermediate Similarity NPC326542
0.8017 Intermediate Similarity NPC323821
0.8017 Intermediate Similarity NPC143268
0.8017 Intermediate Similarity NPC45218
0.8017 Intermediate Similarity NPC18547
0.8017 Intermediate Similarity NPC268238
0.8017 Intermediate Similarity NPC474906
0.8015 Intermediate Similarity NPC256618
0.8015 Intermediate Similarity NPC219058
0.8 Intermediate Similarity NPC71348
0.8 Intermediate Similarity NPC289312
0.8 Intermediate Similarity NPC477054
0.8 Intermediate Similarity NPC472002
0.8 Intermediate Similarity NPC207251
0.8 Intermediate Similarity NPC473928
0.8 Intermediate Similarity NPC11252
0.8 Intermediate Similarity NPC269642
0.7984 Intermediate Similarity NPC154491
0.7984 Intermediate Similarity NPC268530
0.7984 Intermediate Similarity NPC241192
0.7984 Intermediate Similarity NPC112038
0.7984 Intermediate Similarity NPC241008
0.7983 Intermediate Similarity NPC5284
0.797 Intermediate Similarity NPC290746
0.797 Intermediate Similarity NPC79250
0.7969 Intermediate Similarity NPC476091
0.7969 Intermediate Similarity NPC476078
0.7967 Intermediate Similarity NPC311554
0.7967 Intermediate Similarity NPC470776
0.7967 Intermediate Similarity NPC257457
0.7967 Intermediate Similarity NPC297179
0.7967 Intermediate Similarity NPC251310
0.7966 Intermediate Similarity NPC293850
0.7966 Intermediate Similarity NPC154608
0.7966 Intermediate Similarity NPC277017
0.7966 Intermediate Similarity NPC192813
0.7953 Intermediate Similarity NPC293112
0.7951 Intermediate Similarity NPC259306
0.7951 Intermediate Similarity NPC298278
0.7951 Intermediate Similarity NPC474046
0.7951 Intermediate Similarity NPC470628
0.7949 Intermediate Similarity NPC477877
0.7949 Intermediate Similarity NPC472655
0.7949 Intermediate Similarity NPC470587
0.7939 Intermediate Similarity NPC475376
0.7937 Intermediate Similarity NPC91693
0.7937 Intermediate Similarity NPC11895
0.7937 Intermediate Similarity NPC265557
0.7937 Intermediate Similarity NPC18945
0.7937 Intermediate Similarity NPC105926
0.7923 Intermediate Similarity NPC42206
0.792 Intermediate Similarity NPC275675
0.792 Intermediate Similarity NPC470921
0.7917 Intermediate Similarity NPC201992
0.7917 Intermediate Similarity NPC171888
0.7917 Intermediate Similarity NPC146945
0.7913 Intermediate Similarity NPC477051
0.7913 Intermediate Similarity NPC155974
0.7913 Intermediate Similarity NPC477052
0.7913 Intermediate Similarity NPC477053
0.7907 Intermediate Similarity NPC221414
0.7907 Intermediate Similarity NPC54614
0.7907 Intermediate Similarity NPC309096
0.7907 Intermediate Similarity NPC471407
0.7903 Intermediate Similarity NPC477071
0.7903 Intermediate Similarity NPC161065
0.7903 Intermediate Similarity NPC230513
0.7903 Intermediate Similarity NPC61520
0.7903 Intermediate Similarity NPC161738
0.7899 Intermediate Similarity NPC141350
0.7899 Intermediate Similarity NPC304495
0.7899 Intermediate Similarity NPC310546
0.7874 Intermediate Similarity NPC476729
0.7874 Intermediate Similarity NPC81736
0.7874 Intermediate Similarity NPC172154
0.7874 Intermediate Similarity NPC24651
0.7874 Intermediate Similarity NPC8369
0.7869 Intermediate Similarity NPC243354
0.7869 Intermediate Similarity NPC247069
0.7869 Intermediate Similarity NPC117712
0.7869 Intermediate Similarity NPC469877
0.7869 Intermediate Similarity NPC470919
0.7863 Intermediate Similarity NPC475036
0.7863 Intermediate Similarity NPC301787
0.7863 Intermediate Similarity NPC65523
0.7863 Intermediate Similarity NPC328737
0.7863 Intermediate Similarity NPC47281
0.7857 Intermediate Similarity NPC28532
0.7857 Intermediate Similarity NPC312833
0.7857 Intermediate Similarity NPC170538
0.7857 Intermediate Similarity NPC475431
0.7851 Intermediate Similarity NPC302146
0.7851 Intermediate Similarity NPC234042
0.7851 Intermediate Similarity NPC152117
0.7851 Intermediate Similarity NPC477489

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC43252 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
0.7787 Intermediate Similarity NPD4632 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 NPD6059 Approved
0.7698 Intermediate Similarity NPD6054 Approved
0.7674 Intermediate Similarity NPD6616 Approved
0.7667 Intermediate Similarity NPD6881 Approved
0.7667 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD6899 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
0.7538 Intermediate Similarity NPD7507 Approved
0.7519 Intermediate Similarity NPD7604 Phase 2
0.75 Intermediate Similarity NPD6016 Approved
0.75 Intermediate Similarity NPD7319 Approved
0.75 Intermediate Similarity NPD6015 Approved
0.748 Intermediate Similarity NPD6847 Approved
0.748 Intermediate Similarity NPD6617 Approved
0.748 Intermediate Similarity NPD6869 Approved
0.746 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD6009 Approved
0.7459 Intermediate Similarity NPD6014 Approved
0.7459 Intermediate Similarity NPD6013 Approved
0.7459 Intermediate Similarity NPD6012 Approved
0.7442 Intermediate Similarity NPD5988 Approved
0.7385 Intermediate Similarity NPD8328 Phase 3
0.7377 Intermediate Similarity NPD6011 Approved
0.7364 Intermediate Similarity NPD5983 Phase 2
0.735 Intermediate Similarity NPD4755 Approved
0.7344 Intermediate Similarity NPD7516 Approved
0.7339 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD7115 Discovery
0.7317 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD1700 Approved
0.7273 Intermediate Similarity NPD6336 Discontinued
0.7266 Intermediate Similarity NPD7328 Approved
0.7266 Intermediate Similarity NPD7327 Approved
0.7258 Intermediate Similarity NPD4634 Approved
0.7258 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD4696 Approved
0.7227 Intermediate Similarity NPD4700 Approved
0.7227 Intermediate Similarity NPD5285 Approved
0.7227 Intermediate Similarity NPD5286 Approved
0.7203 Intermediate Similarity NPD6083 Phase 2
0.7203 Intermediate Similarity NPD6084 Phase 2
0.7164 Intermediate Similarity NPD6033 Approved
0.7155 Intermediate Similarity NPD6399 Phase 3
0.7154 Intermediate Similarity NPD6412 Phase 2
0.7131 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD6274 Approved
0.7107 Intermediate Similarity NPD5224 Approved
0.7107 Intermediate Similarity NPD5225 Approved
0.7107 Intermediate Similarity NPD5211 Phase 2
0.7107 Intermediate Similarity NPD5226 Approved
0.7107 Intermediate Similarity NPD4633 Approved
0.7099 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD8380 Approved
0.7099 Intermediate Similarity NPD8296 Approved
0.7099 Intermediate Similarity NPD8335 Approved
0.7099 Intermediate Similarity NPD8379 Approved
0.7099 Intermediate Similarity NPD8033 Approved
0.7099 Intermediate Similarity NPD8378 Approved
0.7099 Intermediate Similarity NPD6921 Approved
0.7077 Intermediate Similarity NPD7101 Approved
0.7077 Intermediate Similarity NPD7100 Approved
0.7073 Intermediate Similarity NPD4768 Approved
0.7073 Intermediate Similarity NPD4767 Approved
0.7049 Intermediate Similarity NPD5174 Approved
0.7049 Intermediate Similarity NPD5175 Approved
0.7034 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5223 Approved
0.7023 Intermediate Similarity NPD8377 Approved
0.7023 Intermediate Similarity NPD8294 Approved
0.7016 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD6053 Discontinued
0.7 Intermediate Similarity NPD5696 Approved
0.7 Intermediate Similarity NPD6335 Approved
0.6992 Remote Similarity NPD5141 Approved
0.697 Remote Similarity NPD6908 Approved
0.697 Remote Similarity NPD6909 Approved
0.696 Remote Similarity NPD4729 Approved
0.696 Remote Similarity NPD4730 Approved
0.6953 Remote Similarity NPD8133 Approved
0.6923 Remote Similarity NPD8035 Phase 2
0.6923 Remote Similarity NPD6317 Approved
0.6923 Remote Similarity NPD8034 Phase 2
0.6917 Remote Similarity NPD7902 Approved
0.6911 Remote Similarity NPD4754 Approved
0.6891 Remote Similarity NPD5695 Phase 3
0.687 Remote Similarity NPD6314 Approved
0.687 Remote Similarity NPD6313 Approved
0.686 Remote Similarity NPD7638 Approved
0.685 Remote Similarity NPD5250 Approved
0.685 Remote Similarity NPD5249 Phase 3
0.685 Remote Similarity NPD5251 Approved
0.685 Remote Similarity NPD5248 Approved
0.685 Remote Similarity NPD5247 Approved
0.6842 Remote Similarity NPD7503 Approved
0.6833 Remote Similarity NPD4697 Phase 3
0.6825 Remote Similarity NPD5128 Approved
0.6807 Remote Similarity NPD7748 Approved
0.6803 Remote Similarity NPD7640 Approved
0.6803 Remote Similarity NPD7639 Approved
0.6752 Remote Similarity NPD4753 Phase 2
0.6752 Remote Similarity NPD5328 Approved
0.6723 Remote Similarity NPD4202 Approved
0.6694 Remote Similarity NPD5221 Approved
0.6694 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6694 Remote Similarity NPD5222 Approved
0.6667 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6001 Approved
0.6667 Remote Similarity NPD5217 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5216 Approved
0.6639 Remote Similarity NPD5173 Approved
0.6639 Remote Similarity NPD6079 Approved
0.6639 Remote Similarity NPD7515 Phase 2
0.6638 Remote Similarity NPD6098 Approved
0.6618 Remote Similarity NPD6067 Discontinued
0.6614 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6612 Remote Similarity NPD4629 Approved
0.6612 Remote Similarity NPD5210 Approved
0.661 Remote Similarity NPD6080 Approved
0.661 Remote Similarity NPD6904 Approved
0.661 Remote Similarity NPD6673 Approved
0.6609 Remote Similarity NPD4786 Approved
0.6593 Remote Similarity NPD8515 Approved
0.6593 Remote Similarity NPD8513 Phase 3
0.6593 Remote Similarity NPD8516 Approved
0.6593 Remote Similarity NPD8517 Approved
0.6591 Remote Similarity NPD6868 Approved
0.6589 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6589 Remote Similarity NPD5169 Approved
0.6589 Remote Similarity NPD5135 Approved
0.6552 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6538 Remote Similarity NPD5127 Approved
0.6525 Remote Similarity NPD6903 Approved
0.6525 Remote Similarity NPD6672 Approved
0.6525 Remote Similarity NPD5737 Approved
0.6496 Remote Similarity NPD6409 Approved
0.6496 Remote Similarity NPD3618 Phase 1
0.6496 Remote Similarity NPD7334 Approved
0.6496 Remote Similarity NPD5330 Approved
0.6496 Remote Similarity NPD7146 Approved
0.6496 Remote Similarity NPD6684 Approved
0.6496 Remote Similarity NPD7521 Approved
0.6479 Remote Similarity NPD6845 Suspended
0.6454 Remote Similarity NPD5956 Approved
0.6435 Remote Similarity NPD3667 Approved
0.6434 Remote Similarity NPD6686 Approved
0.6429 Remote Similarity NPD7632 Discontinued
0.6412 Remote Similarity NPD8413 Clinical (unspecified phase)
0.641 Remote Similarity NPD5329 Approved
0.6408 Remote Similarity NPD7260 Phase 2
0.6393 Remote Similarity NPD5282 Discontinued
0.6391 Remote Similarity NPD5167 Approved
0.6372 Remote Similarity NPD6118 Approved
0.6372 Remote Similarity NPD6114 Approved
0.6372 Remote Similarity NPD6697 Approved
0.6372 Remote Similarity NPD6115 Approved
0.637 Remote Similarity NPD6334 Approved
0.637 Remote Similarity NPD6333 Approved
0.6364 Remote Similarity NPD6050 Approved
0.6364 Remote Similarity NPD5281 Approved
0.6364 Remote Similarity NPD5284 Approved
0.6364 Remote Similarity NPD5693 Phase 1
0.6349 Remote Similarity NPD4159 Approved
0.6349 Remote Similarity NPD5344 Discontinued
0.6336 Remote Similarity NPD6371 Approved
0.6333 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6325 Remote Similarity NPD3665 Phase 1
0.6325 Remote Similarity NPD3133 Approved
0.6325 Remote Similarity NPD3666 Approved
0.6325 Remote Similarity NPD4197 Approved
0.632 Remote Similarity NPD4225 Approved
0.6311 Remote Similarity NPD8171 Discontinued
0.6303 Remote Similarity NPD7524 Approved

Structure

External Identifiers

PubChem CID   53474203
ChEMBL   CHEMBL1821846
ZINC  

Physicochemical Properties

Molecular Weight:  676.27
ALogP:  -2.4969
MLogP:  3.66
XLogP:  0.453
# Rotatable Bonds:  18
Polar Surface Area:  215.72
# H-Bond Aceptor:  14
# H-Bond Donor:  4
# Rings:  7
# Heavy Atoms:  48

Download Data

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