Natural Product: NPC470419

Natural Product ID:  NPC470419
Common Name:   Toonaciliatavarin G
IUPAC Name:  
Synonyms:   Toonaciliatavarin G
Molecular Formula:   C26H30O6
Standard InCHIKey:  GSUXKPGCHBNUHU-OYQHXKRISA-N
Standard InCHI:  InChI=1S/C26H30O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)8-7-17(22)27)6-9-24(4)14(11-19-26(24,25)32-19)13-10-20(29)31-21(13)30/h6-8,10,14,16,19-20,29H,9,11-12H2,1-5H3/t14-,16-,19+,20?,23+,24-,25-,26+/m0/s1
Canonical SMILES:  OC1OC(=O)C(=C1)[C@@H]1C[C@@H]2[C@]3([C@@]1(C)CC=C1[C@@]3(C)C(=O)C[C@@H]3[C@]1(C)C=CC(=O)C3(C)C)O2
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
NPO13083 Toona ciliata Species Meliaceae Eukaryota PMID[22537362]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 > 50000 nM 11473422
NPT2 Others Unspecified IC50 > 50000 nM 10075783
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 50000 nM 6167716
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 15200 nM 25322455
NPT111 Cell Line K562 Homo sapiens IC50 > 50000 nM 18701303
NPT83 Cell Line MCF7 Homo sapiens IC50 > 50000 nM 22316191
NPT2 Others Unspecified IC50 > 50000 nM 16499324

  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 NPC470419 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
0.9735 High Similarity NPC470418
0.8871 High Similarity NPC478072
0.8699 High Similarity NPC175186
0.8644 High Similarity NPC470420
0.8629 High Similarity NPC471170
0.8595 High Similarity NPC472768
0.8548 High Similarity NPC104382
0.8537 High Similarity NPC287423
0.8443 Intermediate Similarity NPC204812
0.84 Intermediate Similarity NPC472770
0.8374 Intermediate Similarity NPC32868
0.8374 Intermediate Similarity NPC241456
0.8333 Intermediate Similarity NPC475913
0.832 Intermediate Similarity NPC473620
0.8281 Intermediate Similarity NPC471234
0.8279 Intermediate Similarity NPC46570
0.8268 Intermediate Similarity NPC472769
0.8264 Intermediate Similarity NPC474179
0.8264 Intermediate Similarity NPC475834
0.8254 Intermediate Similarity NPC473593
0.825 Intermediate Similarity NPC239273
0.824 Intermediate Similarity NPC42399
0.8235 Intermediate Similarity NPC474181
0.8226 Intermediate Similarity NPC8369
0.8211 Intermediate Similarity NPC107493
0.8175 Intermediate Similarity NPC311534
0.8167 Intermediate Similarity NPC148458
0.8151 Intermediate Similarity NPC312017
0.8151 Intermediate Similarity NPC9848
0.8145 Intermediate Similarity NPC120724
0.8145 Intermediate Similarity NPC469789
0.8142 Intermediate Similarity NPC475099
0.813 Intermediate Similarity NPC473256
0.813 Intermediate Similarity NPC470878
0.8115 Intermediate Similarity NPC472933
0.8115 Intermediate Similarity NPC476960
0.811 Intermediate Similarity NPC470851
0.8099 Intermediate Similarity NPC472934
0.8099 Intermediate Similarity NPC472927
0.808 Intermediate Similarity NPC172154
0.808 Intermediate Similarity NPC81736
0.8062 Intermediate Similarity NPC469674
0.8047 Intermediate Similarity NPC476863
0.8047 Intermediate Similarity NPC476862
0.8047 Intermediate Similarity NPC476852
0.8031 Intermediate Similarity NPC476859
0.8017 Intermediate Similarity NPC190286
0.8016 Intermediate Similarity NPC293112
0.8 Intermediate Similarity NPC11895
0.8 Intermediate Similarity NPC122056
0.7984 Intermediate Similarity NPC472000
0.7984 Intermediate Similarity NPC471999
0.7984 Intermediate Similarity NPC310511
0.7984 Intermediate Similarity NPC231240
0.7984 Intermediate Similarity NPC472001
0.7984 Intermediate Similarity NPC67569
0.7983 Intermediate Similarity NPC472928
0.7969 Intermediate Similarity NPC231529
0.7969 Intermediate Similarity NPC476851
0.7967 Intermediate Similarity NPC475520
0.7967 Intermediate Similarity NPC264954
0.7967 Intermediate Similarity NPC473270
0.7967 Intermediate Similarity NPC473274
0.7966 Intermediate Similarity NPC474901
0.7966 Intermediate Similarity NPC475941
0.7953 Intermediate Similarity NPC298841
0.7953 Intermediate Similarity NPC473253
0.7949 Intermediate Similarity NPC91034
0.7937 Intermediate Similarity NPC8374
0.7934 Intermediate Similarity NPC238667
0.7934 Intermediate Similarity NPC470953
0.7923 Intermediate Similarity NPC316915
0.792 Intermediate Similarity NPC470265
0.792 Intermediate Similarity NPC170538
0.792 Intermediate Similarity NPC269642
0.792 Intermediate Similarity NPC23786
0.7917 Intermediate Similarity NPC221144
0.7917 Intermediate Similarity NPC475970
0.7917 Intermediate Similarity NPC191620
0.7917 Intermediate Similarity NPC100267
0.7917 Intermediate Similarity NPC236217
0.7917 Intermediate Similarity NPC475524
0.7907 Intermediate Similarity NPC213634
0.7907 Intermediate Similarity NPC476855
0.7903 Intermediate Similarity NPC474370
0.7903 Intermediate Similarity NPC474585
0.7903 Intermediate Similarity NPC79579
0.7903 Intermediate Similarity NPC476962
0.7899 Intermediate Similarity NPC206595
0.7899 Intermediate Similarity NPC37116
0.7899 Intermediate Similarity NPC179642
0.7899 Intermediate Similarity NPC42776
0.7891 Intermediate Similarity NPC470850
0.7891 Intermediate Similarity NPC245094
0.7886 Intermediate Similarity NPC329736
0.7886 Intermediate Similarity NPC113448
0.7886 Intermediate Similarity NPC473720
0.7886 Intermediate Similarity NPC153440
0.7869 Intermediate Similarity NPC72772
0.7869 Intermediate Similarity NPC469794
0.7869 Intermediate Similarity NPC176840
0.7857 Intermediate Similarity NPC473979
0.7851 Intermediate Similarity NPC472929
0.7851 Intermediate Similarity NPC472926
0.7846 Intermediate Similarity NPC471855
0.7845 Intermediate Similarity NPC159442
0.784 Intermediate Similarity NPC204731
0.7829 Intermediate Similarity NPC476854
0.7829 Intermediate Similarity NPC470880
0.7826 Intermediate Similarity NPC472924
0.7823 Intermediate Similarity NPC61520
0.7823 Intermediate Similarity NPC475041
0.7823 Intermediate Similarity NPC5292
0.7812 Intermediate Similarity NPC305496
0.7812 Intermediate Similarity NPC146456
0.7812 Intermediate Similarity NPC469757
0.7812 Intermediate Similarity NPC471357
0.7812 Intermediate Similarity NPC117702
0.7807 Intermediate Similarity NPC197386
0.7805 Intermediate Similarity NPC140055
0.7805 Intermediate Similarity NPC474518
0.7805 Intermediate Similarity NPC470492
0.7805 Intermediate Similarity NPC286528
0.7805 Intermediate Similarity NPC20302
0.7805 Intermediate Similarity NPC469684
0.7805 Intermediate Similarity NPC167606
0.7797 Intermediate Similarity NPC472925
0.7797 Intermediate Similarity NPC475294
0.7797 Intermediate Similarity NPC473037
0.7795 Intermediate Similarity NPC3381
0.7778 Intermediate Similarity NPC25887
0.7778 Intermediate Similarity NPC96268
0.7778 Intermediate Similarity NPC88326
0.7778 Intermediate Similarity NPC153700
0.7769 Intermediate Similarity NPC220757
0.7769 Intermediate Similarity NPC194951
0.7769 Intermediate Similarity NPC196921
0.7769 Intermediate Similarity NPC173347
0.7769 Intermediate Similarity NPC12046
0.776 Intermediate Similarity NPC109973
0.776 Intermediate Similarity NPC476961
0.7759 Intermediate Similarity NPC293753
0.775 Intermediate Similarity NPC473036
0.775 Intermediate Similarity NPC197428
0.775 Intermediate Similarity NPC272898
0.775 Intermediate Similarity NPC130302
0.775 Intermediate Similarity NPC76084
0.775 Intermediate Similarity NPC235014
0.7742 Intermediate Similarity NPC50774
0.7742 Intermediate Similarity NPC709
0.7742 Intermediate Similarity NPC186525
0.7742 Intermediate Similarity NPC471249
0.7739 Intermediate Similarity NPC287833
0.7734 Intermediate Similarity NPC63186
0.7734 Intermediate Similarity NPC473635
0.7731 Intermediate Similarity NPC220155
0.7731 Intermediate Similarity NPC476765
0.7731 Intermediate Similarity NPC61411
0.7731 Intermediate Similarity NPC472825
0.7724 Intermediate Similarity NPC476963
0.7724 Intermediate Similarity NPC266728
0.7724 Intermediate Similarity NPC270929
0.7724 Intermediate Similarity NPC49492
0.7724 Intermediate Similarity NPC268213
0.7724 Intermediate Similarity NPC196931
0.7721 Intermediate Similarity NPC5153
0.7721 Intermediate Similarity NPC48414
0.7717 Intermediate Similarity NPC27363
0.7712 Intermediate Similarity NPC472935
0.7712 Intermediate Similarity NPC470309
0.7705 Intermediate Similarity NPC157441
0.7705 Intermediate Similarity NPC962
0.7698 Intermediate Similarity NPC470921
0.7698 Intermediate Similarity NPC202051
0.7692 Intermediate Similarity NPC10823
0.7692 Intermediate Similarity NPC219085
0.7692 Intermediate Similarity NPC476966
0.7692 Intermediate Similarity NPC17896
0.7692 Intermediate Similarity NPC471352
0.7692 Intermediate Similarity NPC197707
0.7692 Intermediate Similarity NPC70542
0.7692 Intermediate Similarity NPC6108
0.7692 Intermediate Similarity NPC471360
0.7692 Intermediate Similarity NPC469753
0.7692 Intermediate Similarity NPC469751
0.7692 Intermediate Similarity NPC35109
0.7692 Intermediate Similarity NPC471358
0.7692 Intermediate Similarity NPC469755
0.7692 Intermediate Similarity NPC469752
0.7692 Intermediate Similarity NPC471407
0.7692 Intermediate Similarity NPC86159
0.7692 Intermediate Similarity NPC471361
0.7692 Intermediate Similarity NPC471359
0.7692 Intermediate Similarity NPC469754
0.7692 Intermediate Similarity NPC284406
0.7692 Intermediate Similarity NPC180079
0.7692 Intermediate Similarity NPC251866
0.7692 Intermediate Similarity NPC9499
0.7692 Intermediate Similarity NPC89514
0.7692 Intermediate Similarity NPC236390

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470419 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
0.7863 Intermediate Similarity NPD6008 Approved
0.7805 Intermediate Similarity NPD7115 Discovery
0.7692 Intermediate Similarity NPD7319 Approved
0.7638 Intermediate Similarity NPD6370 Approved
0.7615 Intermediate Similarity NPD7736 Approved
0.7597 Intermediate Similarity NPD7507 Approved
0.7519 Intermediate Similarity NPD7492 Approved
0.748 Intermediate Similarity NPD6054 Approved
0.7462 Intermediate Similarity NPD6616 Approved
0.7422 Intermediate Similarity NPD6015 Approved
0.7422 Intermediate Similarity NPD6016 Approved
0.7405 Intermediate Similarity NPD7078 Approved
0.7405 Intermediate Similarity NPD8293 Discontinued
0.7381 Intermediate Similarity NPD6009 Approved
0.7364 Intermediate Similarity NPD5988 Approved
0.7355 Intermediate Similarity NPD5697 Approved
0.7344 Intermediate Similarity NPD6319 Approved
0.7339 Intermediate Similarity NPD6053 Discontinued
0.7339 Intermediate Similarity NPD6882 Approved
0.7295 Intermediate Similarity NPD6881 Approved
0.7295 Intermediate Similarity NPD6899 Approved
0.7295 Intermediate Similarity NPD6011 Approved
0.7288 Intermediate Similarity NPD7639 Approved
0.7288 Intermediate Similarity NPD7640 Approved
0.728 Intermediate Similarity NPD4632 Approved
0.7258 Intermediate Similarity NPD6649 Approved
0.7258 Intermediate Similarity NPD6650 Approved
0.7236 Intermediate Similarity NPD6014 Approved
0.7236 Intermediate Similarity NPD6013 Approved
0.7236 Intermediate Similarity NPD6012 Approved
0.7209 Intermediate Similarity NPD6059 Approved
0.7203 Intermediate Similarity NPD5696 Approved
0.7203 Intermediate Similarity NPD7638 Approved
0.7193 Intermediate Similarity NPD5785 Approved
0.7177 Intermediate Similarity NPD7102 Approved
0.7177 Intermediate Similarity NPD7290 Approved
0.7177 Intermediate Similarity NPD6883 Approved
0.7167 Intermediate Similarity NPD5211 Phase 2
0.7154 Intermediate Similarity NPD6686 Approved
0.7154 Intermediate Similarity NPD7320 Approved
0.7131 Intermediate Similarity NPD6402 Approved
0.7131 Intermediate Similarity NPD7128 Approved
0.7131 Intermediate Similarity NPD5739 Approved
0.7131 Intermediate Similarity NPD6675 Approved
0.712 Intermediate Similarity NPD6869 Approved
0.712 Intermediate Similarity NPD6617 Approved
0.712 Intermediate Similarity NPD8130 Phase 1
0.712 Intermediate Similarity NPD6847 Approved
0.7097 Intermediate Similarity NPD6373 Approved
0.7097 Intermediate Similarity NPD6372 Approved
0.7094 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD5695 Phase 3
0.7094 Intermediate Similarity NPD4629 Approved
0.7094 Intermediate Similarity NPD5210 Approved
0.7073 Intermediate Similarity NPD6412 Phase 2
0.7073 Intermediate Similarity NPD5701 Approved
0.7063 Intermediate Similarity NPD8297 Approved
0.7054 Intermediate Similarity NPD7328 Approved
0.7054 Intermediate Similarity NPD7327 Approved
0.7049 Intermediate Similarity NPD5141 Approved
0.7045 Intermediate Similarity NPD7604 Phase 2
0.7043 Intermediate Similarity NPD5207 Approved
0.704 Intermediate Similarity NPD4634 Approved
0.704 Intermediate Similarity NPD6371 Approved
0.7023 Intermediate Similarity NPD7503 Approved
0.7023 Intermediate Similarity NPD5983 Phase 2
0.7023 Intermediate Similarity NPD8033 Approved
0.7 Intermediate Similarity NPD5286 Approved
0.7 Intermediate Similarity NPD7516 Approved
0.7 Intermediate Similarity NPD4696 Approved
0.7 Intermediate Similarity NPD5285 Approved
0.6983 Remote Similarity NPD5284 Approved
0.6983 Remote Similarity NPD5693 Phase 1
0.6983 Remote Similarity NPD5281 Approved
0.6975 Remote Similarity NPD6084 Phase 2
0.6975 Remote Similarity NPD6083 Phase 2
0.6947 Remote Similarity NPD8294 Approved
0.6947 Remote Similarity NPD8377 Approved
0.6942 Remote Similarity NPD5223 Approved
0.6923 Remote Similarity NPD5778 Approved
0.6923 Remote Similarity NPD5779 Approved
0.6894 Remote Similarity NPD8379 Approved
0.6894 Remote Similarity NPD8335 Approved
0.6894 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6894 Remote Similarity NPD8378 Approved
0.6894 Remote Similarity NPD8296 Approved
0.6894 Remote Similarity NPD8380 Approved
0.6885 Remote Similarity NPD5225 Approved
0.6885 Remote Similarity NPD5226 Approved
0.6885 Remote Similarity NPD5224 Approved
0.6885 Remote Similarity NPD4633 Approved
0.687 Remote Similarity NPD6903 Approved
0.6864 Remote Similarity NPD6001 Approved
0.685 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6846 Remote Similarity NPD6317 Approved
0.6842 Remote Similarity NPD5330 Approved
0.6842 Remote Similarity NPD7521 Approved
0.6842 Remote Similarity NPD6684 Approved
0.6842 Remote Similarity NPD7146 Approved
0.6842 Remote Similarity NPD7334 Approved
0.6842 Remote Similarity NPD6409 Approved
0.6838 Remote Similarity NPD6033 Approved
0.6838 Remote Similarity NPD5694 Approved
0.6838 Remote Similarity NPD6079 Approved
0.6833 Remote Similarity NPD4755 Approved
0.6829 Remote Similarity NPD5174 Approved
0.6829 Remote Similarity NPD5175 Approved
0.6825 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6815 Remote Similarity NPD6336 Discontinued
0.6812 Remote Similarity NPD7260 Phase 2
0.6807 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6794 Remote Similarity NPD6335 Approved
0.6794 Remote Similarity NPD6313 Approved
0.6794 Remote Similarity NPD6314 Approved
0.678 Remote Similarity NPD6399 Phase 3
0.6777 Remote Similarity NPD4225 Approved
0.6772 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6769 Remote Similarity NPD6274 Approved
0.6767 Remote Similarity NPD8517 Approved
0.6767 Remote Similarity NPD8515 Approved
0.6767 Remote Similarity NPD8516 Approved
0.6767 Remote Similarity NPD8513 Phase 3
0.6754 Remote Similarity NPD1694 Approved
0.6754 Remote Similarity NPD5363 Approved
0.6752 Remote Similarity NPD5692 Phase 3
0.675 Remote Similarity NPD5221 Approved
0.675 Remote Similarity NPD5220 Clinical (unspecified phase)
0.675 Remote Similarity NPD5222 Approved
0.6748 Remote Similarity NPD7632 Discontinued
0.6742 Remote Similarity NPD7101 Approved
0.6742 Remote Similarity NPD7100 Approved
0.6724 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6721 Remote Similarity NPD4700 Approved
0.6696 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6696 Remote Similarity NPD5690 Phase 2
0.6696 Remote Similarity NPD5786 Approved
0.6695 Remote Similarity NPD6050 Approved
0.6695 Remote Similarity NPD6411 Approved
0.6694 Remote Similarity NPD5173 Approved
0.6667 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD3133 Approved
0.6667 Remote Similarity NPD5328 Approved
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3666 Approved
0.6667 Remote Similarity NPD3665 Phase 1
0.6667 Remote Similarity NPD8328 Phase 3
0.6667 Remote Similarity NPD6673 Approved
0.6643 Remote Similarity NPD6333 Approved
0.6643 Remote Similarity NPD6334 Approved
0.6639 Remote Similarity NPD4202 Approved
0.6637 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6619 Remote Similarity NPD5956 Approved
0.6614 Remote Similarity NPD4730 Approved
0.6614 Remote Similarity NPD4729 Approved
0.6612 Remote Similarity NPD4697 Phase 3
0.6581 Remote Similarity NPD5737 Approved
0.6581 Remote Similarity NPD6672 Approved
0.6581 Remote Similarity NPD5208 Approved
0.656 Remote Similarity NPD4754 Approved
0.6555 Remote Similarity NPD7637 Suspended
0.6552 Remote Similarity NPD3618 Phase 1
0.6544 Remote Similarity NPD6067 Discontinued
0.6535 Remote Similarity NPD6614 Approved
0.6535 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6051 Approved
0.6525 Remote Similarity NPD1695 Approved
0.6525 Remote Similarity NPD6845 Suspended
0.6525 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6101 Approved
0.6515 Remote Similarity NPD6868 Approved
0.6512 Remote Similarity NPD5135 Approved
0.6512 Remote Similarity NPD5249 Phase 3
0.6512 Remote Similarity NPD5250 Approved
0.6512 Remote Similarity NPD5169 Approved
0.6512 Remote Similarity NPD5248 Approved
0.6512 Remote Similarity NPD5247 Approved
0.6512 Remote Similarity NPD5251 Approved
0.6512 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6496 Remote Similarity NPD3573 Approved
0.6491 Remote Similarity NPD4223 Phase 3
0.6491 Remote Similarity NPD4221 Approved
0.6491 Remote Similarity NPD4269 Approved
0.6491 Remote Similarity NPD4270 Approved
0.6489 Remote Similarity NPD8133 Approved
0.6484 Remote Similarity NPD5128 Approved
0.6484 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6475 Remote Similarity NPD8337 Approved
0.6475 Remote Similarity NPD8336 Approved
0.6462 Remote Similarity NPD5215 Approved
0.6462 Remote Similarity NPD5127 Approved
0.6462 Remote Similarity NPD5216 Approved
0.6462 Remote Similarity NPD5217 Approved
0.6457 Remote Similarity NPD4768 Approved
0.6457 Remote Similarity NPD4767 Approved
0.6435 Remote Similarity NPD5362 Discontinued
0.6423 Remote Similarity NPD5959 Approved
0.641 Remote Similarity NPD4694 Approved
0.641 Remote Similarity NPD6098 Approved

Structure

External Identifiers

PubChem CID   57409856
ChEMBL   CHEMBL2035087
ZINC  

Physicochemical Properties

Molecular Weight:  438.20
ALogP:  1.5499
MLogP:  3.66
XLogP:  2.025
# Rotatable Bonds:  7
Polar Surface Area:  93.2
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  32

Download Data

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