Natural Product: NPC194485

Natural Product ID:  NPC194485
Common Name:   Tenuifolin D
IUPAC Name:  
Synonyms:   Tenuifolin D
Molecular Formula:   C24H36O7
Standard InCHIKey:  OTPQVCJGZXJUEW-KNGCFTRFSA-N
Standard InCHI:  InChI=1S/C24H36O7/c1-11-14-7-15(30-12(2)25)20-23(6)16(8-18(28)24(20,10-14)21(11)29)22(4,5)17(27)9-19(23)31-13(3)26/h14-21,27-29H,1,7-10H2,2-6H3/t14-,15+,16-,17+,18+,19+,20+,21-,23+,24+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@]1(C)[C@@H](OC(=O)C)C[C@@H](C([C@H]1C[C@@H]3O)(C)C)O)[C@@H](C2=C)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
NPO33364 isodon tenuifolius Species Lamiaceae Eukaryota PMID[23327668]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT660 Cell Line SW480 Homo sapiens IC50 > 10000 nM DrugMatrix in vivo data: Hematology
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 15730244
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 23957453
NPT116 Cell Line HL-60 Homo sapiens IC50 > 10000 nM 18316521
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 10000 nM 20025236
NPT113 Cell Line RAW264.7 Mus musculus IC50 > 25000 nM 9214729

  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 NPC194485 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 NPC123252
1.0 High Similarity NPC53890
1.0 High Similarity NPC219937
0.9767 High Similarity NPC26046
0.9762 High Similarity NPC160304
0.9651 High Similarity NPC130840
0.9545 High Similarity NPC241047
0.9438 High Similarity NPC169270
0.9438 High Similarity NPC111834
0.9438 High Similarity NPC292718
0.9438 High Similarity NPC306797
0.9432 High Similarity NPC3359
0.9286 High Similarity NPC299963
0.9121 High Similarity NPC274793
0.9091 High Similarity NPC10274
0.9048 High Similarity NPC472504
0.9032 High Similarity NPC253886
0.9032 High Similarity NPC121218
0.8989 High Similarity NPC219516
0.8837 High Similarity NPC256567
0.883 High Similarity NPC49532
0.8817 High Similarity NPC469725
0.875 High Similarity NPC47281
0.8737 High Similarity NPC170615
0.8737 High Similarity NPC31085
0.8736 High Similarity NPC164424
0.869 High Similarity NPC24504
0.869 High Similarity NPC476316
0.866 High Similarity NPC37600
0.866 High Similarity NPC50535
0.8646 High Similarity NPC471467
0.8636 High Similarity NPC168231
0.8632 High Similarity NPC295276
0.8632 High Similarity NPC144486
0.8602 High Similarity NPC304899
0.8602 High Similarity NPC253115
0.8588 High Similarity NPC47149
0.8571 High Similarity NPC472502
0.8571 High Similarity NPC475
0.8571 High Similarity NPC472499
0.8571 High Similarity NPC472500
0.8542 High Similarity NPC177701
0.8526 High Similarity NPC108371
0.8506 High Similarity NPC232023
0.8488 Intermediate Similarity NPC157655
0.8469 Intermediate Similarity NPC28791
0.8469 Intermediate Similarity NPC295366
0.8454 Intermediate Similarity NPC189588
0.8454 Intermediate Similarity NPC10232
0.8454 Intermediate Similarity NPC187302
0.8454 Intermediate Similarity NPC196471
0.8454 Intermediate Similarity NPC469985
0.8454 Intermediate Similarity NPC97487
0.8452 Intermediate Similarity NPC307336
0.8452 Intermediate Similarity NPC138502
0.8452 Intermediate Similarity NPC260301
0.8421 Intermediate Similarity NPC28864
0.8421 Intermediate Similarity NPC20479
0.8421 Intermediate Similarity NPC38471
0.8421 Intermediate Similarity NPC98837
0.8421 Intermediate Similarity NPC162459
0.8421 Intermediate Similarity NPC38296
0.8409 Intermediate Similarity NPC86238
0.8384 Intermediate Similarity NPC470170
0.8384 Intermediate Similarity NPC475781
0.8384 Intermediate Similarity NPC251824
0.8384 Intermediate Similarity NPC86852
0.8384 Intermediate Similarity NPC470169
0.8372 Intermediate Similarity NPC78545
0.8372 Intermediate Similarity NPC71535
0.8372 Intermediate Similarity NPC206735
0.8353 Intermediate Similarity NPC477819
0.8353 Intermediate Similarity NPC477817
0.8353 Intermediate Similarity NPC472501
0.8333 Intermediate Similarity NPC37047
0.8333 Intermediate Similarity NPC293866
0.8333 Intermediate Similarity NPC41971
0.8333 Intermediate Similarity NPC208358
0.8333 Intermediate Similarity NPC38141
0.8333 Intermediate Similarity NPC180733
0.8316 Intermediate Similarity NPC253586
0.8316 Intermediate Similarity NPC475032
0.8316 Intermediate Similarity NPC475033
0.8315 Intermediate Similarity NPC266651
0.8298 Intermediate Similarity NPC30477
0.8298 Intermediate Similarity NPC205173
0.8295 Intermediate Similarity NPC473742
0.8295 Intermediate Similarity NPC5280
0.8283 Intermediate Similarity NPC220217
0.8283 Intermediate Similarity NPC119855
0.828 Intermediate Similarity NPC296620
0.8265 Intermediate Similarity NPC160583
0.8256 Intermediate Similarity NPC476176
0.8256 Intermediate Similarity NPC5604
0.8247 Intermediate Similarity NPC155974
0.8247 Intermediate Similarity NPC75941
0.8247 Intermediate Similarity NPC295110
0.8247 Intermediate Similarity NPC46848
0.8247 Intermediate Similarity NPC25177
0.8247 Intermediate Similarity NPC268829
0.8247 Intermediate Similarity NPC39683
0.8247 Intermediate Similarity NPC222875
0.8247 Intermediate Similarity NPC247701
0.8229 Intermediate Similarity NPC119036
0.8229 Intermediate Similarity NPC300179
0.8229 Intermediate Similarity NPC102426
0.8229 Intermediate Similarity NPC89099
0.8229 Intermediate Similarity NPC275086
0.8229 Intermediate Similarity NPC325229
0.8229 Intermediate Similarity NPC78427
0.8229 Intermediate Similarity NPC16911
0.8222 Intermediate Similarity NPC121981
0.8222 Intermediate Similarity NPC201273
0.8218 Intermediate Similarity NPC473570
0.8211 Intermediate Similarity NPC299654
0.8211 Intermediate Similarity NPC276103
0.8211 Intermediate Similarity NPC29410
0.8211 Intermediate Similarity NPC471903
0.8211 Intermediate Similarity NPC54248
0.8211 Intermediate Similarity NPC200054
0.8202 Intermediate Similarity NPC102048
0.8202 Intermediate Similarity NPC263974
0.8202 Intermediate Similarity NPC255882
0.82 Intermediate Similarity NPC470166
0.8191 Intermediate Similarity NPC47853
0.8191 Intermediate Similarity NPC474922
0.8172 Intermediate Similarity NPC198054
0.8163 Intermediate Similarity NPC246736
0.8163 Intermediate Similarity NPC286519
0.8163 Intermediate Similarity NPC214946
0.8163 Intermediate Similarity NPC76866
0.8163 Intermediate Similarity NPC275990
0.8163 Intermediate Similarity NPC88203
0.8163 Intermediate Similarity NPC304832
0.8163 Intermediate Similarity NPC148628
0.8161 Intermediate Similarity NPC475679
0.8161 Intermediate Similarity NPC474714
0.8152 Intermediate Similarity NPC473647
0.8152 Intermediate Similarity NPC194642
0.8144 Intermediate Similarity NPC287676
0.8144 Intermediate Similarity NPC251680
0.8144 Intermediate Similarity NPC94906
0.8144 Intermediate Similarity NPC471247
0.814 Intermediate Similarity NPC301707
0.814 Intermediate Similarity NPC471045
0.814 Intermediate Similarity NPC31828
0.8132 Intermediate Similarity NPC44538
0.8125 Intermediate Similarity NPC10864
0.8125 Intermediate Similarity NPC51499
0.8119 Intermediate Similarity NPC473517
0.8105 Intermediate Similarity NPC473348
0.8105 Intermediate Similarity NPC98639
0.81 Intermediate Similarity NPC165405
0.81 Intermediate Similarity NPC285927
0.8095 Intermediate Similarity NPC472503
0.8095 Intermediate Similarity NPC308440
0.809 Intermediate Similarity NPC85095
0.809 Intermediate Similarity NPC216420
0.809 Intermediate Similarity NPC471037
0.809 Intermediate Similarity NPC110778
0.809 Intermediate Similarity NPC211135
0.8085 Intermediate Similarity NPC473678
0.8081 Intermediate Similarity NPC472821
0.8081 Intermediate Similarity NPC473523
0.8081 Intermediate Similarity NPC87927
0.8065 Intermediate Similarity NPC100313
0.8061 Intermediate Similarity NPC96784
0.8061 Intermediate Similarity NPC289148
0.8061 Intermediate Similarity NPC235920
0.8061 Intermediate Similarity NPC475617
0.8061 Intermediate Similarity NPC52899
0.8061 Intermediate Similarity NPC163963
0.8061 Intermediate Similarity NPC289670
0.8058 Intermediate Similarity NPC94650
0.8046 Intermediate Similarity NPC116119
0.8046 Intermediate Similarity NPC80297
0.8046 Intermediate Similarity NPC475727
0.8046 Intermediate Similarity NPC472742
0.8043 Intermediate Similarity NPC16377
0.8043 Intermediate Similarity NPC473436
0.8041 Intermediate Similarity NPC472028
0.8041 Intermediate Similarity NPC471038
0.8041 Intermediate Similarity NPC474793
0.8039 Intermediate Similarity NPC475030
0.8022 Intermediate Similarity NPC139724
0.8022 Intermediate Similarity NPC474970
0.8022 Intermediate Similarity NPC475684
0.8022 Intermediate Similarity NPC472505
0.8022 Intermediate Similarity NPC6605
0.8021 Intermediate Similarity NPC234564
0.8021 Intermediate Similarity NPC329910
0.802 Intermediate Similarity NPC471246
0.8 Intermediate Similarity NPC152966
0.8 Intermediate Similarity NPC301787
0.8 Intermediate Similarity NPC280804
0.8 Intermediate Similarity NPC277399
0.8 Intermediate Similarity NPC39453
0.8 Intermediate Similarity NPC473543
0.8 Intermediate Similarity NPC185536
0.8 Intermediate Similarity NPC469982

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC194485 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
0.8144 Intermediate Similarity NPD7640 Approved
0.8144 Intermediate Similarity NPD7639 Approved
0.8041 Intermediate Similarity NPD7638 Approved
0.7789 Intermediate Similarity NPD8034 Phase 2
0.7789 Intermediate Similarity NPD8035 Phase 2
0.7717 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7624 Intermediate Similarity NPD7632 Discontinued
0.7615 Intermediate Similarity NPD7328 Approved
0.7615 Intermediate Similarity NPD7327 Approved
0.7556 Intermediate Similarity NPD7525 Registered
0.7545 Intermediate Similarity NPD7516 Approved
0.7419 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7411 Intermediate Similarity NPD8379 Approved
0.7411 Intermediate Similarity NPD8296 Approved
0.7411 Intermediate Similarity NPD8378 Approved
0.7411 Intermediate Similarity NPD8380 Approved
0.7411 Intermediate Similarity NPD8335 Approved
0.7407 Intermediate Similarity NPD8133 Approved
0.7404 Intermediate Similarity NPD7128 Approved
0.7404 Intermediate Similarity NPD6402 Approved
0.7404 Intermediate Similarity NPD5739 Approved
0.7404 Intermediate Similarity NPD6675 Approved
0.7333 Intermediate Similarity NPD6114 Approved
0.7333 Intermediate Similarity NPD6697 Approved
0.7333 Intermediate Similarity NPD6115 Approved
0.7333 Intermediate Similarity NPD6118 Approved
0.7321 Intermediate Similarity NPD8294 Approved
0.7321 Intermediate Similarity NPD8377 Approved
0.7312 Intermediate Similarity NPD6695 Phase 3
0.7264 Intermediate Similarity NPD7320 Approved
0.7264 Intermediate Similarity NPD6881 Approved
0.7264 Intermediate Similarity NPD6899 Approved
0.7257 Intermediate Similarity NPD8033 Approved
0.7245 Intermediate Similarity NPD7637 Suspended
0.7222 Intermediate Similarity NPD6116 Phase 1
0.7196 Intermediate Similarity NPD6372 Approved
0.7196 Intermediate Similarity NPD6373 Approved
0.7174 Intermediate Similarity NPD6928 Phase 2
0.7172 Intermediate Similarity NPD6399 Phase 3
0.717 Intermediate Similarity NPD5697 Approved
0.717 Intermediate Similarity NPD5701 Approved
0.713 Intermediate Similarity NPD6883 Approved
0.713 Intermediate Similarity NPD7290 Approved
0.713 Intermediate Similarity NPD7102 Approved
0.7111 Intermediate Similarity NPD6117 Approved
0.7065 Intermediate Similarity NPD6929 Approved
0.7065 Intermediate Similarity NPD7645 Phase 2
0.7064 Intermediate Similarity NPD6649 Approved
0.7064 Intermediate Similarity NPD8130 Phase 1
0.7064 Intermediate Similarity NPD6847 Approved
0.7064 Intermediate Similarity NPD6617 Approved
0.7064 Intermediate Similarity NPD6869 Approved
0.7064 Intermediate Similarity NPD6650 Approved
0.7059 Intermediate Similarity NPD6084 Phase 2
0.7059 Intermediate Similarity NPD6083 Phase 2
0.7041 Intermediate Similarity NPD6051 Approved
0.7037 Intermediate Similarity NPD6013 Approved
0.7037 Intermediate Similarity NPD6012 Approved
0.7037 Intermediate Similarity NPD6014 Approved
0.701 Intermediate Similarity NPD7524 Approved
0.701 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD7750 Discontinued
0.7009 Intermediate Similarity NPD7507 Approved
0.7 Intermediate Similarity NPD6882 Approved
0.7 Intermediate Similarity NPD8297 Approved
0.6989 Remote Similarity NPD6931 Approved
0.6989 Remote Similarity NPD6930 Phase 2
0.6975 Remote Similarity NPD7319 Approved
0.6957 Remote Similarity NPD7503 Approved
0.6952 Remote Similarity NPD5211 Phase 2
0.6947 Remote Similarity NPD4788 Approved
0.6944 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6011 Approved
0.6937 Remote Similarity NPD4632 Approved
0.6931 Remote Similarity NPD7748 Approved
0.6923 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6916 Remote Similarity NPD6008 Approved
0.6909 Remote Similarity NPD6401 Clinical (unspecified phase)
0.69 Remote Similarity NPD7515 Phase 2
0.6893 Remote Similarity NPD7902 Approved
0.6893 Remote Similarity NPD4755 Approved
0.6889 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6881 Remote Similarity NPD4061 Clinical (unspecified phase)
0.687 Remote Similarity NPD6319 Approved
0.6852 Remote Similarity NPD6412 Phase 2
0.6848 Remote Similarity NPD5776 Phase 2
0.6848 Remote Similarity NPD6925 Approved
0.6832 Remote Similarity NPD4202 Approved
0.6827 Remote Similarity NPD4225 Approved
0.6822 Remote Similarity NPD5141 Approved
0.6818 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6942 Approved
0.6813 Remote Similarity NPD7339 Approved
0.678 Remote Similarity NPD7492 Approved
0.6774 Remote Similarity NPD7145 Approved
0.6768 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6762 Remote Similarity NPD4700 Approved
0.6762 Remote Similarity NPD5286 Approved
0.6762 Remote Similarity NPD4696 Approved
0.6762 Remote Similarity NPD5285 Approved
0.6754 Remote Similarity NPD6009 Approved
0.675 Remote Similarity NPD7736 Approved
0.6735 Remote Similarity NPD6409 Approved
0.6735 Remote Similarity NPD5330 Approved
0.6735 Remote Similarity NPD6684 Approved
0.6735 Remote Similarity NPD7521 Approved
0.6735 Remote Similarity NPD7334 Approved
0.6735 Remote Similarity NPD7146 Approved
0.6733 Remote Similarity NPD7087 Discontinued
0.6724 Remote Similarity NPD6054 Approved
0.6724 Remote Similarity NPD6059 Approved
0.6723 Remote Similarity NPD6616 Approved
0.6701 Remote Similarity NPD4786 Approved
0.67 Remote Similarity NPD5328 Approved
0.6699 Remote Similarity NPD5695 Phase 3
0.6698 Remote Similarity NPD5344 Discontinued
0.6695 Remote Similarity NPD7604 Phase 2
0.6667 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8293 Discontinued
0.6667 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD6274 Approved
0.6667 Remote Similarity NPD5696 Approved
0.6667 Remote Similarity NPD7078 Approved
0.6667 Remote Similarity NPD8171 Discontinued
0.6638 Remote Similarity NPD7101 Approved
0.6638 Remote Similarity NPD7100 Approved
0.6636 Remote Similarity NPD4633 Approved
0.6636 Remote Similarity NPD6686 Approved
0.6636 Remote Similarity NPD5226 Approved
0.6636 Remote Similarity NPD5224 Approved
0.6636 Remote Similarity NPD5225 Approved
0.6633 Remote Similarity NPD6893 Approved
0.6632 Remote Similarity NPD7514 Phase 3
0.661 Remote Similarity NPD6370 Approved
0.6609 Remote Similarity NPD7115 Discovery
0.6602 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6602 Remote Similarity NPD7900 Approved
0.66 Remote Similarity NPD6903 Approved
0.6583 Remote Similarity NPD6336 Discontinued
0.6577 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6574 Remote Similarity NPD5174 Approved
0.6574 Remote Similarity NPD5175 Approved
0.6569 Remote Similarity NPD6079 Approved
0.6566 Remote Similarity NPD3618 Phase 1
0.6562 Remote Similarity NPD6902 Approved
0.6556 Remote Similarity NPD4787 Phase 1
0.6552 Remote Similarity NPD6335 Approved
0.6549 Remote Similarity NPD6053 Discontinued
0.6542 Remote Similarity NPD5223 Approved
0.6538 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6535 Remote Similarity NPD4753 Phase 2
0.6531 Remote Similarity NPD3666 Approved
0.6531 Remote Similarity NPD3133 Approved
0.6531 Remote Similarity NPD3665 Phase 1
0.6525 Remote Similarity NPD6909 Approved
0.6525 Remote Similarity NPD6015 Approved
0.6525 Remote Similarity NPD6016 Approved
0.6525 Remote Similarity NPD6908 Approved
0.6518 Remote Similarity NPD4634 Approved
0.65 Remote Similarity NPD4250 Approved
0.65 Remote Similarity NPD4251 Approved
0.6495 Remote Similarity NPD3667 Approved
0.6489 Remote Similarity NPD6932 Approved
0.6484 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6484 Remote Similarity NPD5777 Approved
0.6484 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6484 Remote Similarity NPD4243 Approved
0.6471 Remote Similarity NPD5988 Approved
0.6466 Remote Similarity NPD6317 Approved
0.6458 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6458 Remote Similarity NPD4748 Discontinued
0.6458 Remote Similarity NPD7332 Phase 2
0.6455 Remote Similarity NPD4768 Approved
0.6455 Remote Similarity NPD4767 Approved
0.6452 Remote Similarity NPD3703 Phase 2
0.6452 Remote Similarity NPD3702 Approved
0.6449 Remote Similarity NPD6648 Approved
0.6436 Remote Similarity NPD6672 Approved
0.6436 Remote Similarity NPD5737 Approved
0.6422 Remote Similarity NPD4754 Approved
0.641 Remote Similarity NPD6314 Approved
0.641 Remote Similarity NPD6313 Approved
0.64 Remote Similarity NPD4249 Approved
0.64 Remote Similarity NPD6098 Approved
0.6396 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6392 Remote Similarity NPD6898 Phase 1
0.6374 Remote Similarity NPD4244 Approved
0.6374 Remote Similarity NPD4245 Approved
0.6373 Remote Similarity NPD6080 Approved
0.6373 Remote Similarity NPD6904 Approved
0.6373 Remote Similarity NPD6673 Approved
0.6364 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6354 Remote Similarity NPD4195 Approved
0.6354 Remote Similarity NPD6683 Phase 2
0.6346 Remote Similarity NPD5779 Approved
0.6346 Remote Similarity NPD5778 Approved
0.6344 Remote Similarity NPD4784 Approved
0.6344 Remote Similarity NPD6926 Approved
0.6344 Remote Similarity NPD4785 Approved
0.6344 Remote Similarity NPD6924 Approved

Structure

External Identifiers

PubChem CID   71579051
ChEMBL   CHEMBL2334477
ZINC  

Physicochemical Properties

Molecular Weight:  436.25
ALogP:  -0.4903
MLogP:  3.33
XLogP:  1.499
# Rotatable Bonds:  12
Polar Surface Area:  113.29
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  31

Download Data

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