Natural Product: NPC475570

Natural Product ID:  NPC475570
Common Name:   Lantanilic Acid
IUPAC Name:  
Synonyms:   Lantanilic Acid
Molecular Formula:   C35H52O6
Standard InCHIKey:  HGMVESCHSMFWDD-FFHSXQEQSA-N
Standard InCHI:  InChI=1S/C35H52O6/c1-21(2)17-27(36)41-26-19-29(3,4)18-23-22-9-10-25-32(8,31(22,7)13-15-34(23,26)28(37)38)12-11-24-30(5,6)35(39)16-14-33(24,25)20-40-35/h9,17,23-26,39H,10-16,18-20H2,1-8H3,(H,37,38)/t23-,24-,25-,26+,31+,32+,33+,34-,35+/m0/s1
Canonical SMILES:  CC(=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@]32CC[C@](C1(C)C)(OC3)O)C)C(=O)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
NPO6442 Lippia turbinata Species Verbenaceae Eukaryota PMID[11170663]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC > 128000 nM 1517737

  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 NPC475570 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
0.9899 High Similarity NPC473483
0.9388 High Similarity NPC475156
0.9388 High Similarity NPC473576
0.9245 High Similarity NPC44170
0.9151 High Similarity NPC110861
0.91 High Similarity NPC476888
0.91 High Similarity NPC93744
0.9065 High Similarity NPC268954
0.901 High Similarity NPC40918
0.901 High Similarity NPC476890
0.8922 High Similarity NPC476889
0.8878 High Similarity NPC474963
0.88 High Similarity NPC26413
0.8774 High Similarity NPC472666
0.8687 High Similarity NPC78580
0.8687 High Similarity NPC23621
0.8687 High Similarity NPC184006
0.8679 High Similarity NPC476759
0.8614 High Similarity NPC158347
0.86 High Similarity NPC23241
0.86 High Similarity NPC195715
0.8585 High Similarity NPC300614
0.8585 High Similarity NPC90946
0.8585 High Similarity NPC476765
0.8571 High Similarity NPC476127
0.8571 High Similarity NPC476150
0.8558 High Similarity NPC95899
0.8515 High Similarity NPC98874
0.8515 High Similarity NPC317573
0.8505 High Similarity NPC31522
0.85 High Similarity NPC91010
0.85 High Similarity NPC74751
0.8496 Intermediate Similarity NPC170084
0.8496 Intermediate Similarity NPC476204
0.8476 Intermediate Similarity NPC476764
0.8476 Intermediate Similarity NPC476763
0.8468 Intermediate Similarity NPC474483
0.8468 Intermediate Similarity NPC473405
0.8448 Intermediate Similarity NPC470516
0.844 Intermediate Similarity NPC1046
0.844 Intermediate Similarity NPC90952
0.844 Intermediate Similarity NPC277769
0.844 Intermediate Similarity NPC80843
0.8431 Intermediate Similarity NPC476878
0.8431 Intermediate Similarity NPC476879
0.8426 Intermediate Similarity NPC476766
0.8416 Intermediate Similarity NPC148523
0.8416 Intermediate Similarity NPC474727
0.84 Intermediate Similarity NPC86368
0.84 Intermediate Similarity NPC169343
0.8396 Intermediate Similarity NPC476762
0.8396 Intermediate Similarity NPC476760
0.8396 Intermediate Similarity NPC476761
0.8393 Intermediate Similarity NPC471548
0.8384 Intermediate Similarity NPC113989
0.8384 Intermediate Similarity NPC120840
0.8381 Intermediate Similarity NPC471208
0.8381 Intermediate Similarity NPC478057
0.8376 Intermediate Similarity NPC23020
0.8376 Intermediate Similarity NPC472268
0.8376 Intermediate Similarity NPC112492
0.8376 Intermediate Similarity NPC472270
0.8376 Intermediate Similarity NPC472269
0.8365 Intermediate Similarity NPC471075
0.8364 Intermediate Similarity NPC475208
0.8364 Intermediate Similarity NPC238935
0.8349 Intermediate Similarity NPC31839
0.8305 Intermediate Similarity NPC477196
0.83 Intermediate Similarity NPC77099
0.83 Intermediate Similarity NPC966
0.83 Intermediate Similarity NPC285184
0.83 Intermediate Similarity NPC228784
0.83 Intermediate Similarity NPC155120
0.83 Intermediate Similarity NPC324341
0.83 Intermediate Similarity NPC288833
0.83 Intermediate Similarity NPC282616
0.83 Intermediate Similarity NPC60755
0.83 Intermediate Similarity NPC470590
0.8288 Intermediate Similarity NPC470953
0.8288 Intermediate Similarity NPC164389
0.8288 Intermediate Similarity NPC475486
0.8286 Intermediate Similarity NPC165250
0.8286 Intermediate Similarity NPC476769
0.8283 Intermediate Similarity NPC30522
0.8273 Intermediate Similarity NPC194951
0.8273 Intermediate Similarity NPC48249
0.8273 Intermediate Similarity NPC12046
0.8273 Intermediate Similarity NPC4573
0.8273 Intermediate Similarity NPC471967
0.8269 Intermediate Similarity NPC476299
0.8269 Intermediate Similarity NPC476767
0.8269 Intermediate Similarity NPC117685
0.8269 Intermediate Similarity NPC474012
0.8257 Intermediate Similarity NPC59804
0.8257 Intermediate Similarity NPC242611
0.8257 Intermediate Similarity NPC174679
0.8257 Intermediate Similarity NPC29069
0.8257 Intermediate Similarity NPC475296
0.8257 Intermediate Similarity NPC127056
0.8257 Intermediate Similarity NPC269095
0.8257 Intermediate Similarity NPC474589
0.8257 Intermediate Similarity NPC56713
0.8257 Intermediate Similarity NPC136877
0.8257 Intermediate Similarity NPC164194
0.8257 Intermediate Similarity NPC78046
0.8257 Intermediate Similarity NPC270667
0.8257 Intermediate Similarity NPC279554
0.8257 Intermediate Similarity NPC90856
0.8252 Intermediate Similarity NPC89225
0.8246 Intermediate Similarity NPC476962
0.8241 Intermediate Similarity NPC325054
0.8241 Intermediate Similarity NPC275539
0.8241 Intermediate Similarity NPC189075
0.8235 Intermediate Similarity NPC222951
0.8235 Intermediate Similarity NPC311178
0.8235 Intermediate Similarity NPC300655
0.8235 Intermediate Similarity NPC43589
0.8235 Intermediate Similarity NPC477197
0.8224 Intermediate Similarity NPC88349
0.8224 Intermediate Similarity NPC475611
0.822 Intermediate Similarity NPC477078
0.822 Intermediate Similarity NPC477191
0.822 Intermediate Similarity NPC477075
0.822 Intermediate Similarity NPC477192
0.822 Intermediate Similarity NPC329923
0.822 Intermediate Similarity NPC475281
0.822 Intermediate Similarity NPC477194
0.822 Intermediate Similarity NPC477193
0.8218 Intermediate Similarity NPC472303
0.8218 Intermediate Similarity NPC272075
0.8218 Intermediate Similarity NPC214756
0.8218 Intermediate Similarity NPC295643
0.8214 Intermediate Similarity NPC75287
0.8214 Intermediate Similarity NPC51465
0.8214 Intermediate Similarity NPC291903
0.8214 Intermediate Similarity NPC305267
0.8214 Intermediate Similarity NPC26626
0.8214 Intermediate Similarity NPC37134
0.8214 Intermediate Similarity NPC288205
0.8214 Intermediate Similarity NPC476992
0.8208 Intermediate Similarity NPC180204
0.8208 Intermediate Similarity NPC291154
0.8205 Intermediate Similarity NPC297950
0.82 Intermediate Similarity NPC474728
0.82 Intermediate Similarity NPC198818
0.82 Intermediate Similarity NPC172361
0.82 Intermediate Similarity NPC86372
0.8198 Intermediate Similarity NPC157441
0.819 Intermediate Similarity NPC204812
0.819 Intermediate Similarity NPC473160
0.819 Intermediate Similarity NPC235142
0.8182 Intermediate Similarity NPC108748
0.8182 Intermediate Similarity NPC30397
0.8182 Intermediate Similarity NPC297208
0.8182 Intermediate Similarity NPC164419
0.8182 Intermediate Similarity NPC179434
0.8182 Intermediate Similarity NPC211798
0.8182 Intermediate Similarity NPC235841
0.8182 Intermediate Similarity NPC473481
0.8173 Intermediate Similarity NPC58942
0.8173 Intermediate Similarity NPC471966
0.8173 Intermediate Similarity NPC164349
0.8173 Intermediate Similarity NPC260149
0.8167 Intermediate Similarity NPC183816
0.8167 Intermediate Similarity NPC475177
0.8167 Intermediate Similarity NPC477195
0.8167 Intermediate Similarity NPC322904
0.8167 Intermediate Similarity NPC476776
0.8167 Intermediate Similarity NPC196874
0.8167 Intermediate Similarity NPC473679
0.8167 Intermediate Similarity NPC324933
0.8167 Intermediate Similarity NPC319719
0.8167 Intermediate Similarity NPC233223
0.8167 Intermediate Similarity NPC475444
0.8165 Intermediate Similarity NPC57362
0.8165 Intermediate Similarity NPC204407
0.8165 Intermediate Similarity NPC167383
0.8165 Intermediate Similarity NPC306746
0.8165 Intermediate Similarity NPC237503
0.8165 Intermediate Similarity NPC137917
0.8158 Intermediate Similarity NPC77689
0.8158 Intermediate Similarity NPC473636
0.8158 Intermediate Similarity NPC476960
0.8155 Intermediate Similarity NPC472806
0.8155 Intermediate Similarity NPC234993
0.8155 Intermediate Similarity NPC134072
0.8155 Intermediate Similarity NPC167193
0.8155 Intermediate Similarity NPC242848
0.8151 Intermediate Similarity NPC252289
0.8151 Intermediate Similarity NPC265841
0.8151 Intermediate Similarity NPC1314
0.8151 Intermediate Similarity NPC305793
0.8151 Intermediate Similarity NPC252657
0.8151 Intermediate Similarity NPC11577
0.8151 Intermediate Similarity NPC273878
0.8151 Intermediate Similarity NPC477077
0.8151 Intermediate Similarity NPC477079
0.8151 Intermediate Similarity NPC9470
0.8151 Intermediate Similarity NPC244296
0.8151 Intermediate Similarity NPC107536

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475570 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
0.85 High Similarity NPD7748 Approved
0.8252 Intermediate Similarity NPD7902 Approved
0.8173 Intermediate Similarity NPD7638 Approved
0.8119 Intermediate Similarity NPD7515 Phase 2
0.8095 Intermediate Similarity NPD7640 Approved
0.8095 Intermediate Similarity NPD7639 Approved
0.8034 Intermediate Similarity NPD8328 Phase 3
0.7961 Intermediate Similarity NPD7900 Approved
0.7961 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7748 Intermediate Similarity NPD6686 Approved
0.7705 Intermediate Similarity NPD7319 Approved
0.7672 Intermediate Similarity NPD7115 Discovery
0.7672 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD8294 Approved
0.7627 Intermediate Similarity NPD8377 Approved
0.7603 Intermediate Similarity NPD7507 Approved
0.7565 Intermediate Similarity NPD8133 Approved
0.7563 Intermediate Similarity NPD8380 Approved
0.7563 Intermediate Similarity NPD8335 Approved
0.7563 Intermediate Similarity NPD8379 Approved
0.7563 Intermediate Similarity NPD8378 Approved
0.7563 Intermediate Similarity NPD8296 Approved
0.7563 Intermediate Similarity NPD8033 Approved
0.7522 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4225 Approved
0.7455 Intermediate Similarity NPD7632 Discontinued
0.7368 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD6412 Phase 2
0.7339 Intermediate Similarity NPD7736 Approved
0.7311 Intermediate Similarity NPD7327 Approved
0.7311 Intermediate Similarity NPD7328 Approved
0.7308 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD8513 Phase 3
0.7273 Intermediate Similarity NPD8515 Approved
0.7273 Intermediate Similarity NPD8517 Approved
0.7273 Intermediate Similarity NPD8516 Approved
0.7264 Intermediate Similarity NPD6411 Approved
0.7264 Intermediate Similarity NPD8034 Phase 2
0.7264 Intermediate Similarity NPD8035 Phase 2
0.7257 Intermediate Similarity NPD7128 Approved
0.7257 Intermediate Similarity NPD6675 Approved
0.7257 Intermediate Similarity NPD6402 Approved
0.7257 Intermediate Similarity NPD5739 Approved
0.725 Intermediate Similarity NPD7516 Approved
0.7228 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD3573 Approved
0.7196 Intermediate Similarity NPD5778 Approved
0.7196 Intermediate Similarity NPD6399 Phase 3
0.7196 Intermediate Similarity NPD5779 Approved
0.7179 Intermediate Similarity NPD6882 Approved
0.7131 Intermediate Similarity NPD7503 Approved
0.713 Intermediate Similarity NPD7320 Approved
0.713 Intermediate Similarity NPD6881 Approved
0.713 Intermediate Similarity NPD6899 Approved
0.713 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD8293 Discontinued
0.7115 Intermediate Similarity NPD7146 Approved
0.7115 Intermediate Similarity NPD6684 Approved
0.7115 Intermediate Similarity NPD7521 Approved
0.7115 Intermediate Similarity NPD7334 Approved
0.7115 Intermediate Similarity NPD6409 Approved
0.7115 Intermediate Similarity NPD3618 Phase 1
0.7115 Intermediate Similarity NPD5330 Approved
0.71 Intermediate Similarity NPD7645 Phase 2
0.7097 Intermediate Similarity NPD7492 Approved
0.7094 Intermediate Similarity NPD8130 Phase 1
0.7091 Intermediate Similarity NPD6084 Phase 2
0.7091 Intermediate Similarity NPD6083 Phase 2
0.7075 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD6101 Approved
0.7075 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD5328 Approved
0.7069 Intermediate Similarity NPD6373 Approved
0.7069 Intermediate Similarity NPD6372 Approved
0.7049 Intermediate Similarity NPD6054 Approved
0.7049 Intermediate Similarity NPD6059 Approved
0.7043 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD5701 Approved
0.7043 Intermediate Similarity NPD5697 Approved
0.704 Intermediate Similarity NPD6616 Approved
0.7034 Intermediate Similarity NPD8297 Approved
0.7019 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD1694 Approved
0.7009 Intermediate Similarity NPD6883 Approved
0.7009 Intermediate Similarity NPD7102 Approved
0.7009 Intermediate Similarity NPD7290 Approved
0.6984 Remote Similarity NPD7078 Approved
0.6981 Remote Similarity NPD5737 Approved
0.6981 Remote Similarity NPD6672 Approved
0.6981 Remote Similarity NPD6903 Approved
0.6949 Remote Similarity NPD6869 Approved
0.6949 Remote Similarity NPD6649 Approved
0.6949 Remote Similarity NPD6847 Approved
0.6949 Remote Similarity NPD6650 Approved
0.6949 Remote Similarity NPD6617 Approved
0.6944 Remote Similarity NPD6079 Approved
0.6935 Remote Similarity NPD6370 Approved
0.6923 Remote Similarity NPD6014 Approved
0.6923 Remote Similarity NPD6012 Approved
0.6923 Remote Similarity NPD6013 Approved
0.6911 Remote Similarity NPD6319 Approved
0.6909 Remote Similarity NPD5695 Phase 3
0.6875 Remote Similarity NPD5696 Approved
0.6855 Remote Similarity NPD6016 Approved
0.6855 Remote Similarity NPD6015 Approved
0.6852 Remote Similarity NPD6698 Approved
0.6852 Remote Similarity NPD46 Approved
0.6838 Remote Similarity NPD6011 Approved
0.681 Remote Similarity NPD6008 Approved
0.6807 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6807 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6009 Approved
0.68 Remote Similarity NPD5988 Approved
0.6792 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6789 Remote Similarity NPD7637 Suspended
0.6789 Remote Similarity NPD5693 Phase 1
0.6786 Remote Similarity NPD4755 Approved
0.6762 Remote Similarity NPD4786 Approved
0.6762 Remote Similarity NPD3666 Approved
0.6762 Remote Similarity NPD3133 Approved
0.6762 Remote Similarity NPD3665 Phase 1
0.6757 Remote Similarity NPD6356 Clinical (unspecified phase)
0.675 Remote Similarity NPD6053 Discontinued
0.6731 Remote Similarity NPD3667 Approved
0.6727 Remote Similarity NPD4202 Approved
0.6723 Remote Similarity NPD4634 Approved
0.6719 Remote Similarity NPD8074 Phase 3
0.6696 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7732 Phase 3
0.6696 Remote Similarity NPD4697 Phase 3
0.6696 Remote Similarity NPD5211 Phase 2
0.6696 Remote Similarity NPD7839 Suspended
0.6696 Remote Similarity NPD7614 Phase 1
0.6696 Remote Similarity NPD5221 Approved
0.6696 Remote Similarity NPD5222 Approved
0.6694 Remote Similarity NPD4632 Approved
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6637 Remote Similarity NPD5173 Approved
0.6606 Remote Similarity NPD4753 Phase 2
0.6606 Remote Similarity NPD6904 Approved
0.6606 Remote Similarity NPD6673 Approved
0.6606 Remote Similarity NPD6080 Approved
0.6606 Remote Similarity NPD6051 Approved
0.6604 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6585 Remote Similarity NPD6274 Approved
0.6585 Remote Similarity NPD6868 Approved
0.6581 Remote Similarity NPD5141 Approved
0.6579 Remote Similarity NPD8029 Clinical (unspecified phase)
0.656 Remote Similarity NPD7100 Approved
0.656 Remote Similarity NPD7101 Approved
0.6552 Remote Similarity NPD4633 Approved
0.6552 Remote Similarity NPD5224 Approved
0.6552 Remote Similarity NPD5225 Approved
0.6552 Remote Similarity NPD5226 Approved
0.6545 Remote Similarity NPD5785 Approved
0.6538 Remote Similarity NPD6033 Approved
0.6538 Remote Similarity NPD4695 Discontinued
0.6535 Remote Similarity NPD8039 Approved
0.6505 Remote Similarity NPD6115 Approved
0.6505 Remote Similarity NPD6697 Approved
0.6505 Remote Similarity NPD6118 Approved
0.6505 Remote Similarity NPD6114 Approved
0.6496 Remote Similarity NPD5175 Approved
0.6496 Remote Similarity NPD5174 Approved
0.6484 Remote Similarity NPD7604 Phase 2
0.6484 Remote Similarity NPD6067 Discontinued
0.6481 Remote Similarity NPD4519 Discontinued
0.6481 Remote Similarity NPD4623 Approved
0.648 Remote Similarity NPD6335 Approved
0.6471 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6466 Remote Similarity NPD5223 Approved
0.6466 Remote Similarity NPD5344 Discontinued
0.646 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6457 Remote Similarity NPD6908 Approved
0.6457 Remote Similarity NPD5983 Phase 2
0.6457 Remote Similarity NPD6921 Approved
0.6457 Remote Similarity NPD6909 Approved
0.6449 Remote Similarity NPD3668 Phase 3
0.6446 Remote Similarity NPD6371 Approved
0.6415 Remote Similarity NPD4223 Phase 3
0.6415 Remote Similarity NPD4221 Approved
0.64 Remote Similarity NPD6317 Approved
0.6389 Remote Similarity NPD5329 Approved
0.6387 Remote Similarity NPD4767 Approved
0.6387 Remote Similarity NPD4768 Approved
0.6385 Remote Similarity NPD6336 Discontinued
0.6381 Remote Similarity NPD7525 Registered
0.6379 Remote Similarity NPD6648 Approved
0.6372 Remote Similarity NPD5282 Discontinued
0.6372 Remote Similarity NPD6001 Approved
0.6364 Remote Similarity NPD5208 Approved
0.6356 Remote Similarity NPD4754 Approved
0.6349 Remote Similarity NPD6314 Approved
0.6349 Remote Similarity NPD6313 Approved
0.6339 Remote Similarity NPD5284 Approved
0.6339 Remote Similarity NPD6050 Approved

Structure

External Identifiers

PubChem CID   44584761
ChEMBL   CHEMBL508444
ZINC  

Physicochemical Properties

Molecular Weight:  568.38
ALogP:  2.6613
MLogP:  4.65
XLogP:  7.893
# Rotatable Bonds:  14
Polar Surface Area:  93.06
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  41

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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