Natural Product: NPC243298

Natural Product ID:  NPC243298
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H29ClO6
Standard InCHIKey:  XGXRGYADYVZCTF-OPLDBLFRSA-N
Standard InCHI:  InChI=1S/C24H29ClO6/c1-7-12(2)8-9-15-10-16-17(11-29-15)18-19-22(27)30-14(4)13(3)24(19,28-6)31-23(18,5)21(26)20(16)25/h8-14,18-19H,7H2,1-6H3/b9-8+/t12-,13+,14+,18+,19-,23-,24+/m0/s1
Canonical SMILES:  CC[C@@H](/C=C/C1=CC2=C(Cl)C(=O)[C@@]3([C@H](C2=CO1)[C@H]1C(=O)O[C@@H]([C@H]([C@]1(O3)OC)C)C)C)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
NPO24171 Chaetomium globosum Species Chaetomiaceae Eukaryota PMID[26343828]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT71 Cell Line HEK293 Homo sapiens Survival = 100 % 24852121
NPT113 Cell Line RAW264.7 Mus musculus Survival = 28 % 18044832
NPT2 Others Unspecified IC50 = 11600 nM 9644081
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 39800 nM 15730249
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 5800 nM 9784152
NPT2 Others Unspecified Inhibition = 88.5 % 19035792
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 97.9 % 20363626

  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 NPC243298 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
0.9636 High Similarity NPC245320
0.955 High Similarity NPC473145
0.955 High Similarity NPC31641
0.9204 High Similarity NPC476815
0.8624 High Similarity NPC272528
0.8532 High Similarity NPC271059
0.8532 High Similarity NPC25666
0.8198 Intermediate Similarity NPC297281
0.8198 Intermediate Similarity NPC473144
0.8056 Intermediate Similarity NPC31021
0.7798 Intermediate Similarity NPC143210
0.7768 Intermediate Similarity NPC215253
0.7768 Intermediate Similarity NPC185253
0.7748 Intermediate Similarity NPC134083
0.7727 Intermediate Similarity NPC12727
0.7705 Intermediate Similarity NPC158963
0.7699 Intermediate Similarity NPC469851
0.7692 Intermediate Similarity NPC23497
0.7679 Intermediate Similarity NPC166770
0.7672 Intermediate Similarity NPC199107
0.7672 Intermediate Similarity NPC232969
0.7652 Intermediate Similarity NPC474898
0.7615 Intermediate Similarity NPC166110
0.7545 Intermediate Similarity NPC248193
0.7544 Intermediate Similarity NPC473384
0.7523 Intermediate Similarity NPC224270
0.75 Intermediate Similarity NPC476001
0.75 Intermediate Similarity NPC318082
0.7455 Intermediate Similarity NPC32944
0.7455 Intermediate Similarity NPC193396
0.7438 Intermediate Similarity NPC326264
0.7436 Intermediate Similarity NPC469852
0.7431 Intermediate Similarity NPC142159
0.7431 Intermediate Similarity NPC95364
0.7414 Intermediate Similarity NPC471364
0.7414 Intermediate Similarity NPC471365
0.7414 Intermediate Similarity NPC132395
0.7391 Intermediate Similarity NPC244456
0.7391 Intermediate Similarity NPC471699
0.7391 Intermediate Similarity NPC224172
0.7391 Intermediate Similarity NPC474912
0.7391 Intermediate Similarity NPC474899
0.7391 Intermediate Similarity NPC469657
0.7373 Intermediate Similarity NPC469853
0.7368 Intermediate Similarity NPC54843
0.7364 Intermediate Similarity NPC469372
0.7345 Intermediate Similarity NPC112654
0.7295 Intermediate Similarity NPC321496
0.7257 Intermediate Similarity NPC471698
0.725 Intermediate Similarity NPC220705
0.7213 Intermediate Similarity NPC66108
0.7207 Intermediate Similarity NPC469595
0.7207 Intermediate Similarity NPC212679
0.7207 Intermediate Similarity NPC220454
0.719 Intermediate Similarity NPC89408
0.7167 Intermediate Similarity NPC327106
0.7156 Intermediate Similarity NPC279859
0.7156 Intermediate Similarity NPC38576
0.7154 Intermediate Similarity NPC476008
0.7143 Intermediate Similarity NPC268958
0.7143 Intermediate Similarity NPC472645
0.7132 Intermediate Similarity NPC24651
0.7117 Intermediate Similarity NPC280833
0.7109 Intermediate Similarity NPC312833
0.7105 Intermediate Similarity NPC473369
0.7094 Intermediate Similarity NPC472643
0.7091 Intermediate Similarity NPC471739
0.7077 Intermediate Similarity NPC477745
0.7073 Intermediate Similarity NPC265391
0.7064 Intermediate Similarity NPC281172
0.7059 Intermediate Similarity NPC307846
0.7059 Intermediate Similarity NPC596
0.7059 Intermediate Similarity NPC305157
0.7054 Intermediate Similarity NPC18945
0.7054 Intermediate Similarity NPC91693
0.7054 Intermediate Similarity NPC265557
0.7054 Intermediate Similarity NPC105926
0.7049 Intermediate Similarity NPC478209
0.7043 Intermediate Similarity NPC299396
0.7043 Intermediate Similarity NPC476275
0.7043 Intermediate Similarity NPC172998
0.7043 Intermediate Similarity NPC301596
0.704 Intermediate Similarity NPC477509
0.704 Intermediate Similarity NPC270478
0.7037 Intermediate Similarity NPC262813
0.7034 Intermediate Similarity NPC235369
0.7027 Intermediate Similarity NPC475906
0.7027 Intermediate Similarity NPC469631
0.7027 Intermediate Similarity NPC469628
0.7027 Intermediate Similarity NPC469653
0.7027 Intermediate Similarity NPC471047
0.7027 Intermediate Similarity NPC475902
0.7018 Intermediate Similarity NPC477129
0.7018 Intermediate Similarity NPC477130
0.7016 Intermediate Similarity NPC474271
0.7015 Intermediate Similarity NPC168879
0.7008 Intermediate Similarity NPC476107
0.7 Intermediate Similarity NPC476729
0.7 Intermediate Similarity NPC291712
0.7 Intermediate Similarity NPC203795
0.7 Intermediate Similarity NPC470922
0.7 Intermediate Similarity NPC85529
0.7 Intermediate Similarity NPC469607
0.7 Intermediate Similarity NPC32006
0.7 Intermediate Similarity NPC477125
0.6992 Remote Similarity NPC304180
0.6992 Remote Similarity NPC179798
0.6991 Remote Similarity NPC32552
0.6991 Remote Similarity NPC20713
0.6985 Remote Similarity NPC190065
0.6985 Remote Similarity NPC141215
0.6985 Remote Similarity NPC471089
0.6985 Remote Similarity NPC243014
0.6985 Remote Similarity NPC251998
0.6984 Remote Similarity NPC23046
0.6983 Remote Similarity NPC38530
0.6983 Remote Similarity NPC84335
0.6977 Remote Similarity NPC287236
0.6975 Remote Similarity NPC320294
0.6975 Remote Similarity NPC472750
0.6975 Remote Similarity NPC472747
0.6967 Remote Similarity NPC469370
0.6967 Remote Similarity NPC228477
0.6967 Remote Similarity NPC38154
0.6967 Remote Similarity NPC137911
0.6964 Remote Similarity NPC284561
0.6963 Remote Similarity NPC242486
0.6963 Remote Similarity NPC15215
0.6957 Remote Similarity NPC474947
0.6957 Remote Similarity NPC295347
0.6957 Remote Similarity NPC234339
0.6957 Remote Similarity NPC273197
0.6942 Remote Similarity NPC133422
0.6942 Remote Similarity NPC476958
0.6934 Remote Similarity NPC140045
0.6934 Remote Similarity NPC295885
0.693 Remote Similarity NPC476597
0.693 Remote Similarity NPC471571
0.693 Remote Similarity NPC1108
0.693 Remote Similarity NPC475302
0.693 Remote Similarity NPC476598
0.693 Remote Similarity NPC165383
0.6929 Remote Similarity NPC21326
0.6929 Remote Similarity NPC284707
0.6923 Remote Similarity NPC67251
0.6917 Remote Similarity NPC477510
0.6917 Remote Similarity NPC325769
0.6917 Remote Similarity NPC471143
0.6917 Remote Similarity NPC221414
0.6917 Remote Similarity NPC472756
0.6917 Remote Similarity NPC472748
0.6917 Remote Similarity NPC476851
0.6911 Remote Similarity NPC206595
0.6905 Remote Similarity NPC329869
0.6903 Remote Similarity NPC280592
0.6903 Remote Similarity NPC329857
0.6903 Remote Similarity NPC469718
0.6903 Remote Similarity NPC213636
0.6903 Remote Similarity NPC253177
0.6899 Remote Similarity NPC170880
0.6899 Remote Similarity NPC472000
0.6899 Remote Similarity NPC471999
0.6891 Remote Similarity NPC273005
0.6891 Remote Similarity NPC469606
0.6891 Remote Similarity NPC31058
0.688 Remote Similarity NPC159333
0.688 Remote Similarity NPC469463
0.688 Remote Similarity NPC56448
0.688 Remote Similarity NPC469454
0.688 Remote Similarity NPC478212
0.688 Remote Similarity NPC469496
0.6875 Remote Similarity NPC473151
0.687 Remote Similarity NPC241456
0.687 Remote Similarity NPC32868
0.687 Remote Similarity NPC38830
0.687 Remote Similarity NPC476596
0.687 Remote Similarity NPC470697
0.6866 Remote Similarity NPC476862
0.6866 Remote Similarity NPC213634
0.6866 Remote Similarity NPC476852
0.6866 Remote Similarity NPC476863
0.6864 Remote Similarity NPC472644
0.6864 Remote Similarity NPC469551
0.686 Remote Similarity NPC472749
0.686 Remote Similarity NPC1679
0.686 Remote Similarity NPC478208
0.686 Remote Similarity NPC472751
0.6855 Remote Similarity NPC470960
0.6855 Remote Similarity NPC474315
0.685 Remote Similarity NPC471145
0.685 Remote Similarity NPC98249
0.685 Remote Similarity NPC53396
0.685 Remote Similarity NPC469684
0.6842 Remote Similarity NPC111114
0.6842 Remote Similarity NPC476859
0.6842 Remote Similarity NPC150978
0.6842 Remote Similarity NPC471329
0.6842 Remote Similarity NPC300312
0.6842 Remote Similarity NPC65513
0.6842 Remote Similarity NPC261607

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC243298 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
0.6899 Remote Similarity NPD8513 Phase 3
0.6769 Remote Similarity NPD8515 Approved
0.6769 Remote Similarity NPD8516 Approved
0.6769 Remote Similarity NPD8517 Approved
0.6667 Remote Similarity NPD6335 Approved
0.6667 Remote Similarity NPD5654 Approved
0.6667 Remote Similarity NPD6614 Approved
0.6667 Remote Similarity NPD6314 Approved
0.6667 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD6313 Approved
0.6615 Remote Similarity NPD7101 Approved
0.6615 Remote Similarity NPD7100 Approved
0.6593 Remote Similarity NPD6033 Approved
0.6581 Remote Similarity NPD5282 Discontinued
0.6555 Remote Similarity NPD5959 Approved
0.6535 Remote Similarity NPD6053 Discontinued
0.6532 Remote Similarity NPD5697 Approved
0.6525 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6101 Approved
0.6522 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6519 Remote Similarity NPD8074 Phase 3
0.65 Remote Similarity NPD5696 Approved
0.6493 Remote Similarity NPD7492 Approved
0.648 Remote Similarity NPD6881 Approved
0.648 Remote Similarity NPD6899 Approved
0.6462 Remote Similarity NPD7115 Discovery
0.6462 Remote Similarity NPD6009 Approved
0.646 Remote Similarity NPD1694 Approved
0.6457 Remote Similarity NPD6649 Approved
0.6457 Remote Similarity NPD6650 Approved
0.6457 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6675 Approved
0.6452 Remote Similarity NPD6402 Approved
0.6452 Remote Similarity NPD7128 Approved
0.6452 Remote Similarity NPD5739 Approved
0.6449 Remote Similarity NPD7260 Phase 2
0.6444 Remote Similarity NPD6616 Approved
0.6439 Remote Similarity NPD6054 Approved
0.6429 Remote Similarity NPD6012 Approved
0.6429 Remote Similarity NPD6013 Approved
0.6429 Remote Similarity NPD6372 Approved
0.6429 Remote Similarity NPD6373 Approved
0.6429 Remote Similarity NPD6014 Approved
0.641 Remote Similarity NPD6411 Approved
0.641 Remote Similarity NPD5693 Phase 1
0.641 Remote Similarity NPD5694 Approved
0.64 Remote Similarity NPD5701 Approved
0.6397 Remote Similarity NPD7078 Approved
0.6391 Remote Similarity NPD6015 Approved
0.6391 Remote Similarity NPD6016 Approved
0.6385 Remote Similarity NPD6868 Approved
0.6378 Remote Similarity NPD7102 Approved
0.6378 Remote Similarity NPD7290 Approved
0.6378 Remote Similarity NPD6883 Approved
0.6356 Remote Similarity NPD5778 Approved
0.6356 Remote Similarity NPD5779 Approved
0.635 Remote Similarity NPD7736 Approved
0.6349 Remote Similarity NPD7320 Approved
0.6349 Remote Similarity NPD6011 Approved
0.6343 Remote Similarity NPD6370 Approved
0.6343 Remote Similarity NPD5988 Approved
0.6338 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6328 Remote Similarity NPD6869 Approved
0.6328 Remote Similarity NPD8130 Phase 1
0.6328 Remote Similarity NPD6617 Approved
0.6328 Remote Similarity NPD6847 Approved
0.6325 Remote Similarity NPD5692 Phase 3
0.632 Remote Similarity NPD6008 Approved
0.6316 Remote Similarity NPD6059 Approved
0.6296 Remote Similarity NPD8328 Phase 3
0.6293 Remote Similarity NPD6672 Approved
0.6293 Remote Similarity NPD5737 Approved
0.6279 Remote Similarity NPD8297 Approved
0.6277 Remote Similarity NPD8293 Discontinued
0.6271 Remote Similarity NPD6050 Approved
0.6269 Remote Similarity NPD5983 Phase 2
0.6259 Remote Similarity NPD5956 Approved
0.625 Remote Similarity NPD5169 Approved
0.625 Remote Similarity NPD5695 Phase 3
0.622 Remote Similarity NPD5128 Approved
0.6207 Remote Similarity NPD3573 Approved
0.6204 Remote Similarity NPD6336 Discontinued
0.6202 Remote Similarity NPD5215 Approved
0.6202 Remote Similarity NPD5127 Approved
0.6202 Remote Similarity NPD5217 Approved
0.6202 Remote Similarity NPD5216 Approved
0.6194 Remote Similarity NPD6319 Approved
0.6186 Remote Similarity NPD5207 Approved
0.617 Remote Similarity NPD6845 Suspended
0.6148 Remote Similarity NPD6084 Phase 2
0.6148 Remote Similarity NPD6083 Phase 2
0.6142 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6107 Remote Similarity NPD4632 Approved
0.6102 Remote Similarity NPD6904 Approved
0.6102 Remote Similarity NPD6080 Approved
0.6102 Remote Similarity NPD6673 Approved
0.6098 Remote Similarity NPD4225 Approved
0.6098 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6094 Remote Similarity NPD6686 Approved
0.6094 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6083 Remote Similarity NPD6399 Phase 3
0.608 Remote Similarity NPD5091 Approved
0.608 Remote Similarity NPD5211 Phase 2
0.6077 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6071 Remote Similarity NPD7319 Approved
0.6066 Remote Similarity NPD7839 Suspended
0.6061 Remote Similarity NPD5167 Approved
0.6053 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6053 Remote Similarity NPD5209 Approved
0.6048 Remote Similarity NPD5285 Approved
0.6048 Remote Similarity NPD4696 Approved
0.6048 Remote Similarity NPD5286 Approved
0.6033 Remote Similarity NPD7900 Approved
0.6033 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6029 Remote Similarity NPD7503 Approved
0.6016 Remote Similarity NPD4755 Approved
0.6015 Remote Similarity NPD6274 Approved
0.6 Remote Similarity NPD5284 Approved
0.6 Remote Similarity NPD5281 Approved
0.5984 Remote Similarity NPD4629 Approved
0.5984 Remote Similarity NPD5210 Approved
0.5984 Remote Similarity NPD5141 Approved
0.5983 Remote Similarity NPD5330 Approved
0.5983 Remote Similarity NPD7521 Approved
0.5983 Remote Similarity NPD6409 Approved
0.5983 Remote Similarity NPD7146 Approved
0.5983 Remote Similarity NPD6684 Approved
0.5983 Remote Similarity NPD7334 Approved
0.5971 Remote Similarity NPD7507 Approved
0.597 Remote Similarity NPD6317 Approved
0.597 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5969 Remote Similarity NPD5168 Approved
0.5952 Remote Similarity NPD5225 Approved
0.5952 Remote Similarity NPD5224 Approved
0.5952 Remote Similarity NPD5226 Approved
0.5952 Remote Similarity NPD4633 Approved
0.592 Remote Similarity NPD4700 Approved
0.5917 Remote Similarity NPD5785 Approved
0.5912 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5906 Remote Similarity NPD5174 Approved
0.5906 Remote Similarity NPD5175 Approved
0.5897 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5893 Remote Similarity NPD4756 Discovery
0.5891 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5887 Remote Similarity NPD7902 Approved
0.5882 Remote Similarity NPD6903 Approved
0.5882 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5878 Remote Similarity NPD2067 Discontinued
0.5878 Remote Similarity NPD4634 Approved
0.5873 Remote Similarity NPD5223 Approved
0.5868 Remote Similarity NPD7983 Approved
0.5854 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5847 Remote Similarity NPD6098 Approved
0.5847 Remote Similarity NPD5786 Approved
0.5833 Remote Similarity NPD1695 Approved
0.5833 Remote Similarity NPD7285 Clinical (unspecified phase)
0.582 Remote Similarity NPD5133 Approved
0.5806 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5806 Remote Similarity NPD5221 Approved
0.5806 Remote Similarity NPD5222 Approved
0.5806 Remote Similarity NPD4697 Phase 3
0.5797 Remote Similarity NPD8444 Approved
0.5797 Remote Similarity NPD6908 Approved
0.5797 Remote Similarity NPD6909 Approved
0.5785 Remote Similarity NPD6698 Approved
0.5785 Remote Similarity NPD46 Approved
0.5775 Remote Similarity NPD8337 Approved
0.5775 Remote Similarity NPD8336 Approved
0.5772 Remote Similarity NPD7748 Approved
0.5769 Remote Similarity NPD6412 Phase 2
0.5766 Remote Similarity NPD4522 Approved
0.5763 Remote Similarity NPD5363 Approved
0.576 Remote Similarity NPD5173 Approved
0.5758 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5758 Remote Similarity NPD6371 Approved
0.5755 Remote Similarity NPD8080 Discontinued
0.5745 Remote Similarity NPD8451 Approved
0.5726 Remote Similarity NPD7154 Phase 3
0.5725 Remote Similarity NPD4730 Approved
0.5725 Remote Similarity NPD4729 Approved
0.5714 Remote Similarity NPD7638 Approved
0.5714 Remote Similarity NPD8039 Approved
0.5714 Remote Similarity NPD7830 Approved
0.5714 Remote Similarity NPD7604 Phase 2
0.5714 Remote Similarity NPD7829 Approved
0.5714 Remote Similarity NPD5279 Phase 3
0.5704 Remote Similarity NPD8448 Approved
0.5702 Remote Similarity NPD4753 Phase 2
0.5694 Remote Similarity NPD8391 Approved
0.5694 Remote Similarity NPD8390 Approved
0.5694 Remote Similarity NPD8392 Approved
0.5692 Remote Similarity NPD4768 Approved
0.5692 Remote Similarity NPD4767 Approved
0.569 Remote Similarity NPD5369 Approved
0.5682 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5677 Remote Similarity NPD7236 Approved
0.5671 Remote Similarity NPD5537 Clinical (unspecified phase)
0.5669 Remote Similarity NPD7639 Approved
0.5669 Remote Similarity NPD7640 Approved
0.5659 Remote Similarity NPD4754 Approved

Structure

External Identifiers

PubChem CID   25148535
ChEMBL   CHEMBL3621757
ZINC  

Physicochemical Properties

Molecular Weight:  448.17
ALogP:  0.096
MLogP:  3.33
XLogP:  3.712
# Rotatable Bonds:  11
Polar Surface Area:  71.06
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  31

Download Data

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