Natural Product: NPC471818

Natural Product ID:  NPC471818
Common Name:   Lagopsin G
IUPAC Name:   [2-oxo-1-[(1S,6S)-2,2,6-trimethyl-6-[3-(5-oxo-2H-furan-4-yl)propanoyl]cyclohexyl]butyl] acetate
Synonyms:  
Molecular Formula:   C22H32O6
Standard InCHIKey:  QSCKCWXZUDXSMG-FGTDEGFTSA-N
Standard InCHI:  InChI=1S/C22H32O6/c1-6-16(24)18(28-14(2)23)19-21(3,4)11-7-12-22(19,5)17(25)9-8-15-10-13-27-20(15)26/h10,18-19H,6-9,11-13H2,1-5H3/t18?,19-,22+/m0/s1
Canonical SMILES:  CCC(=O)C([C@H]1C(C)(C)CCC[C@]1(C)C(=O)CCC1=CCOC1=O)OC(=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
NPO17287 Lagopsis supina Species Lamiaceae Eukaryota PMID[24707938]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 34900 nM 15387655

  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 NPC471818 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
0.9286 High Similarity NPC149869
0.8791 High Similarity NPC148463
0.8791 High Similarity NPC476596
0.8681 High Similarity NPC476597
0.8681 High Similarity NPC476598
0.8621 High Similarity NPC474359
0.8523 High Similarity NPC189311
0.8444 Intermediate Similarity NPC226863
0.8427 Intermediate Similarity NPC220478
0.8409 Intermediate Similarity NPC475100
0.8391 Intermediate Similarity NPC173609
0.8391 Intermediate Similarity NPC200513
0.8353 Intermediate Similarity NPC471220
0.8353 Intermediate Similarity NPC128276
0.8298 Intermediate Similarity NPC470978
0.8298 Intermediate Similarity NPC470974
0.8295 Intermediate Similarity NPC222358
0.8295 Intermediate Similarity NPC193198
0.8276 Intermediate Similarity NPC471325
0.8235 Intermediate Similarity NPC57744
0.8222 Intermediate Similarity NPC38576
0.8222 Intermediate Similarity NPC279859
0.8191 Intermediate Similarity NPC84893
0.8152 Intermediate Similarity NPC5509
0.8118 Intermediate Similarity NPC27205
0.8111 Intermediate Similarity NPC65661
0.8105 Intermediate Similarity NPC474490
0.8085 Intermediate Similarity NPC475657
0.8065 Intermediate Similarity NPC476437
0.8065 Intermediate Similarity NPC476369
0.8065 Intermediate Similarity NPC51486
0.8061 Intermediate Similarity NPC472643
0.8046 Intermediate Similarity NPC469620
0.8046 Intermediate Similarity NPC178277
0.8046 Intermediate Similarity NPC469690
0.8046 Intermediate Similarity NPC471299
0.8041 Intermediate Similarity NPC54843
0.8021 Intermediate Similarity NPC184065
0.8 Intermediate Similarity NPC30486
0.8 Intermediate Similarity NPC476415
0.7981 Intermediate Similarity NPC264634
0.7978 Intermediate Similarity NPC221231
0.7978 Intermediate Similarity NPC471326
0.7957 Intermediate Similarity NPC174342
0.7957 Intermediate Similarity NPC284561
0.7938 Intermediate Similarity NPC474343
0.7917 Intermediate Similarity NPC295347
0.7912 Intermediate Similarity NPC86316
0.7912 Intermediate Similarity NPC106416
0.7912 Intermediate Similarity NPC110405
0.7895 Intermediate Similarity NPC139692
0.7889 Intermediate Similarity NPC474703
0.7889 Intermediate Similarity NPC22611
0.7882 Intermediate Similarity NPC15499
0.7882 Intermediate Similarity NPC117746
0.7882 Intermediate Similarity NPC294434
0.7882 Intermediate Similarity NPC259599
0.7879 Intermediate Similarity NPC473384
0.7872 Intermediate Similarity NPC212679
0.7872 Intermediate Similarity NPC220454
0.7872 Intermediate Similarity NPC152467
0.7872 Intermediate Similarity NPC469595
0.7872 Intermediate Similarity NPC8062
0.7865 Intermediate Similarity NPC42470
0.7857 Intermediate Similarity NPC222011
0.7849 Intermediate Similarity NPC471047
0.7849 Intermediate Similarity NPC215831
0.7849 Intermediate Similarity NPC475906
0.7849 Intermediate Similarity NPC469653
0.7849 Intermediate Similarity NPC469631
0.7849 Intermediate Similarity NPC469628
0.7826 Intermediate Similarity NPC472863
0.7822 Intermediate Similarity NPC189616
0.7816 Intermediate Similarity NPC187568
0.7816 Intermediate Similarity NPC41780
0.7812 Intermediate Similarity NPC470697
0.7812 Intermediate Similarity NPC477130
0.7812 Intermediate Similarity NPC477129
0.781 Intermediate Similarity NPC147180
0.7791 Intermediate Similarity NPC244166
0.7789 Intermediate Similarity NPC472814
0.7789 Intermediate Similarity NPC177037
0.7789 Intermediate Similarity NPC219874
0.7789 Intermediate Similarity NPC473944
0.7778 Intermediate Similarity NPC178676
0.7778 Intermediate Similarity NPC471218
0.7778 Intermediate Similarity NPC472644
0.7778 Intermediate Similarity NPC94200
0.7778 Intermediate Similarity NPC471413
0.7766 Intermediate Similarity NPC288699
0.7766 Intermediate Similarity NPC73995
0.7766 Intermediate Similarity NPC280833
0.7755 Intermediate Similarity NPC84335
0.7755 Intermediate Similarity NPC476768
0.7755 Intermediate Similarity NPC208094
0.7755 Intermediate Similarity NPC69385
0.7755 Intermediate Similarity NPC38530
0.7745 Intermediate Similarity NPC472645
0.7742 Intermediate Similarity NPC312561
0.7732 Intermediate Similarity NPC209355
0.7732 Intermediate Similarity NPC33473
0.7732 Intermediate Similarity NPC473369
0.7717 Intermediate Similarity NPC177932
0.7717 Intermediate Similarity NPC30984
0.7708 Intermediate Similarity NPC476416
0.7708 Intermediate Similarity NPC115021
0.7701 Intermediate Similarity NPC123360
0.7701 Intermediate Similarity NPC473223
0.77 Intermediate Similarity NPC310981
0.77 Intermediate Similarity NPC471412
0.7692 Intermediate Similarity NPC118423
0.7692 Intermediate Similarity NPC474193
0.7692 Intermediate Similarity NPC12283
0.7692 Intermediate Similarity NPC475947
0.7684 Intermediate Similarity NPC469718
0.7684 Intermediate Similarity NPC101651
0.7684 Intermediate Similarity NPC232426
0.7684 Intermediate Similarity NPC159748
0.7684 Intermediate Similarity NPC281942
0.7684 Intermediate Similarity NPC329857
0.7677 Intermediate Similarity NPC252295
0.7677 Intermediate Similarity NPC176845
0.7674 Intermediate Similarity NPC476355
0.7674 Intermediate Similarity NPC20025
0.7674 Intermediate Similarity NPC140287
0.7674 Intermediate Similarity NPC474758
0.767 Intermediate Similarity NPC475294
0.767 Intermediate Similarity NPC133422
0.7667 Intermediate Similarity NPC282293
0.7667 Intermediate Similarity NPC40228
0.7667 Intermediate Similarity NPC275507
0.7667 Intermediate Similarity NPC14203
0.7667 Intermediate Similarity NPC229584
0.7667 Intermediate Similarity NPC475665
0.766 Intermediate Similarity NPC472302
0.766 Intermediate Similarity NPC477128
0.766 Intermediate Similarity NPC475902
0.7653 Intermediate Similarity NPC234993
0.7653 Intermediate Similarity NPC134072
0.7653 Intermediate Similarity NPC242848
0.7653 Intermediate Similarity NPC29952
0.7647 Intermediate Similarity NPC257618
0.764 Intermediate Similarity NPC28319
0.764 Intermediate Similarity NPC150646
0.7634 Intermediate Similarity NPC261253
0.7634 Intermediate Similarity NPC474045
0.7634 Intermediate Similarity NPC202394
0.7634 Intermediate Similarity NPC168248
0.7634 Intermediate Similarity NPC261721
0.7624 Intermediate Similarity NPC162973
0.7614 Intermediate Similarity NPC316500
0.7609 Intermediate Similarity NPC31086
0.7609 Intermediate Similarity NPC238197
0.7604 Intermediate Similarity NPC477783
0.7604 Intermediate Similarity NPC141831
0.7604 Intermediate Similarity NPC284185
0.7604 Intermediate Similarity NPC65513
0.7604 Intermediate Similarity NPC221282
0.76 Intermediate Similarity NPC287833
0.76 Intermediate Similarity NPC54705
0.76 Intermediate Similarity NPC476274
0.76 Intermediate Similarity NPC174314
0.76 Intermediate Similarity NPC117685
0.7586 Intermediate Similarity NPC65650
0.7582 Intermediate Similarity NPC186276
0.7582 Intermediate Similarity NPC268122
0.7582 Intermediate Similarity NPC35556
0.7579 Intermediate Similarity NPC177141
0.7579 Intermediate Similarity NPC474844
0.7579 Intermediate Similarity NPC168131
0.7579 Intermediate Similarity NPC469546
0.7579 Intermediate Similarity NPC251528
0.7576 Intermediate Similarity NPC253826
0.7576 Intermediate Similarity NPC475709
0.7576 Intermediate Similarity NPC226986
0.7576 Intermediate Similarity NPC53844
0.7576 Intermediate Similarity NPC2049
0.7576 Intermediate Similarity NPC110937
0.7576 Intermediate Similarity NPC216904
0.757 Intermediate Similarity NPC472929
0.7556 Intermediate Similarity NPC195424
0.7556 Intermediate Similarity NPC304795
0.7553 Intermediate Similarity NPC478144
0.7553 Intermediate Similarity NPC476409
0.7553 Intermediate Similarity NPC477228
0.7551 Intermediate Similarity NPC474947
0.7551 Intermediate Similarity NPC183012
0.7549 Intermediate Similarity NPC254202
0.7529 Intermediate Similarity NPC469660
0.7528 Intermediate Similarity NPC184737
0.7527 Intermediate Similarity NPC474013
0.7527 Intermediate Similarity NPC161957
0.7526 Intermediate Similarity NPC202824
0.7526 Intermediate Similarity NPC165383
0.7526 Intermediate Similarity NPC475302
0.7526 Intermediate Similarity NPC477361
0.7526 Intermediate Similarity NPC471571
0.7525 Intermediate Similarity NPC168319
0.7525 Intermediate Similarity NPC475099
0.7525 Intermediate Similarity NPC476478

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471818 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
0.8391 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD6672 Approved
0.7849 Intermediate Similarity NPD5737 Approved
0.7717 Intermediate Similarity NPD1694 Approved
0.7604 Intermediate Similarity NPD5693 Phase 1
0.75 Intermediate Similarity NPD5696 Approved
0.7447 Intermediate Similarity NPD7334 Approved
0.7447 Intermediate Similarity NPD7146 Approved
0.7447 Intermediate Similarity NPD6684 Approved
0.7447 Intermediate Similarity NPD6409 Approved
0.7447 Intermediate Similarity NPD5330 Approved
0.7447 Intermediate Similarity NPD7521 Approved
0.7396 Intermediate Similarity NPD6904 Approved
0.7396 Intermediate Similarity NPD6673 Approved
0.7396 Intermediate Similarity NPD6080 Approved
0.732 Intermediate Similarity NPD5785 Approved
0.7292 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD6903 Approved
0.7245 Intermediate Similarity NPD6050 Approved
0.7228 Intermediate Similarity NPD6083 Phase 2
0.7228 Intermediate Similarity NPD6084 Phase 2
0.7204 Intermediate Similarity NPD5209 Approved
0.72 Intermediate Similarity NPD5695 Phase 3
0.7191 Intermediate Similarity NPD8039 Approved
0.7143 Intermediate Similarity NPD5692 Phase 3
0.7103 Intermediate Similarity NPD6881 Approved
0.7103 Intermediate Similarity NPD6686 Approved
0.7103 Intermediate Similarity NPD6899 Approved
0.71 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD7900 Approved
0.7083 Intermediate Similarity NPD6098 Approved
0.7075 Intermediate Similarity NPD7128 Approved
0.7075 Intermediate Similarity NPD6675 Approved
0.7075 Intermediate Similarity NPD6402 Approved
0.7075 Intermediate Similarity NPD5739 Approved
0.7071 Intermediate Similarity NPD5694 Approved
0.7064 Intermediate Similarity NPD6650 Approved
0.7064 Intermediate Similarity NPD6649 Approved
0.7037 Intermediate Similarity NPD6373 Approved
0.7037 Intermediate Similarity NPD6372 Approved
0.703 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6614 Approved
0.7009 Intermediate Similarity NPD5697 Approved
0.7 Intermediate Similarity NPD6399 Phase 3
0.699 Remote Similarity NPD4225 Approved
0.699 Remote Similarity NPD7638 Approved
0.6972 Remote Similarity NPD7102 Approved
0.6972 Remote Similarity NPD7290 Approved
0.6972 Remote Similarity NPD6883 Approved
0.6944 Remote Similarity NPD7320 Approved
0.6944 Remote Similarity NPD6011 Approved
0.6931 Remote Similarity NPD7748 Approved
0.6923 Remote Similarity NPD7640 Approved
0.6923 Remote Similarity NPD7639 Approved
0.6909 Remote Similarity NPD6617 Approved
0.6909 Remote Similarity NPD6847 Approved
0.6909 Remote Similarity NPD8130 Phase 1
0.6909 Remote Similarity NPD6869 Approved
0.6893 Remote Similarity NPD7902 Approved
0.6881 Remote Similarity NPD6014 Approved
0.6881 Remote Similarity NPD6012 Approved
0.6881 Remote Similarity NPD6013 Approved
0.6863 Remote Similarity NPD5210 Approved
0.6863 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6863 Remote Similarity NPD4629 Approved
0.6852 Remote Similarity NPD5701 Approved
0.6847 Remote Similarity NPD6882 Approved
0.6847 Remote Similarity NPD8297 Approved
0.6837 Remote Similarity NPD3573 Approved
0.6809 Remote Similarity NPD4695 Discontinued
0.6804 Remote Similarity NPD5363 Approved
0.6796 Remote Similarity NPD7732 Phase 3
0.6774 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6757 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6754 Remote Similarity NPD7115 Discovery
0.6735 Remote Similarity NPD5279 Phase 3
0.6733 Remote Similarity NPD7515 Phase 2
0.67 Remote Similarity NPD6051 Approved
0.6699 Remote Similarity NPD5654 Approved
0.6667 Remote Similarity NPD6868 Approved
0.6635 Remote Similarity NPD5221 Approved
0.6635 Remote Similarity NPD5222 Approved
0.6635 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6635 Remote Similarity NPD4697 Phase 3
0.6634 Remote Similarity NPD5207 Approved
0.6634 Remote Similarity NPD6698 Approved
0.6634 Remote Similarity NPD46 Approved
0.6633 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6606 Remote Similarity NPD6008 Approved
0.66 Remote Similarity NPD5208 Approved
0.6585 Remote Similarity NPD7260 Phase 2
0.6571 Remote Similarity NPD5959 Approved
0.6571 Remote Similarity NPD5173 Approved
0.6569 Remote Similarity NPD6079 Approved
0.6566 Remote Similarity NPD3618 Phase 1
0.6566 Remote Similarity NPD5786 Approved
0.6552 Remote Similarity NPD6335 Approved
0.6552 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6545 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6545 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6535 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6535 Remote Similarity NPD4753 Phase 2
0.6535 Remote Similarity NPD5328 Approved
0.6531 Remote Similarity NPD3665 Phase 1
0.6531 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6531 Remote Similarity NPD3133 Approved
0.6531 Remote Similarity NPD3666 Approved
0.6522 Remote Similarity NPD6274 Approved
0.6518 Remote Similarity NPD6371 Approved
0.6496 Remote Similarity NPD7101 Approved
0.6496 Remote Similarity NPD7100 Approved
0.6495 Remote Similarity NPD4269 Approved
0.6495 Remote Similarity NPD4270 Approved
0.6495 Remote Similarity NPD6435 Approved
0.6489 Remote Similarity NPD4756 Discovery
0.6481 Remote Similarity NPD5211 Phase 2
0.6476 Remote Similarity NPD7614 Phase 1
0.6466 Remote Similarity NPD6317 Approved
0.6465 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6465 Remote Similarity NPD5329 Approved
0.6449 Remote Similarity NPD5286 Approved
0.6449 Remote Similarity NPD4696 Approved
0.6449 Remote Similarity NPD5285 Approved
0.6442 Remote Similarity NPD5282 Discontinued
0.6442 Remote Similarity NPD6001 Approved
0.6429 Remote Similarity NPD5362 Discontinued
0.6429 Remote Similarity NPD7154 Phase 3
0.6415 Remote Similarity NPD4755 Approved
0.641 Remote Similarity NPD6313 Approved
0.641 Remote Similarity NPD6314 Approved
0.6408 Remote Similarity NPD5284 Approved
0.6408 Remote Similarity NPD6411 Approved
0.6408 Remote Similarity NPD5281 Approved
0.64 Remote Similarity NPD5690 Phase 2
0.6392 Remote Similarity NPD5369 Approved
0.6389 Remote Similarity NPD5223 Approved
0.6374 Remote Similarity NPD4691 Approved
0.6373 Remote Similarity NPD1695 Approved
0.6372 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6372 Remote Similarity NPD2067 Discontinued
0.6364 Remote Similarity NPD5141 Approved
0.6364 Remote Similarity NPD3668 Phase 3
0.6364 Remote Similarity NPD4197 Approved
0.6364 Remote Similarity NPD4786 Approved
0.6348 Remote Similarity NPD4632 Approved
0.6346 Remote Similarity NPD5779 Approved
0.6346 Remote Similarity NPD5778 Approved
0.633 Remote Similarity NPD7632 Discontinued
0.633 Remote Similarity NPD5226 Approved
0.633 Remote Similarity NPD5224 Approved
0.633 Remote Similarity NPD4633 Approved
0.633 Remote Similarity NPD5225 Approved
0.6327 Remote Similarity NPD3667 Approved
0.6325 Remote Similarity NPD6009 Approved
0.6303 Remote Similarity NPD6319 Approved
0.63 Remote Similarity NPD1696 Phase 3
0.6296 Remote Similarity NPD4700 Approved
0.6292 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6289 Remote Similarity NPD5368 Approved
0.6289 Remote Similarity NPD4252 Approved
0.6283 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6281 Remote Similarity NPD7604 Phase 2
0.6273 Remote Similarity NPD6052 Approved
0.6273 Remote Similarity NPD5175 Approved
0.6273 Remote Similarity NPD5174 Approved
0.627 Remote Similarity NPD6845 Suspended
0.6264 Remote Similarity NPD4137 Phase 3
0.6263 Remote Similarity NPD6110 Phase 1
0.6261 Remote Similarity NPD6053 Discontinued
0.625 Remote Similarity NPD8034 Phase 2
0.625 Remote Similarity NPD6908 Approved
0.625 Remote Similarity NPD6291 Clinical (unspecified phase)
0.625 Remote Similarity NPD6909 Approved
0.625 Remote Similarity NPD8035 Phase 2
0.625 Remote Similarity NPD7637 Suspended
0.625 Remote Similarity NPD3617 Approved
0.625 Remote Similarity NPD5983 Phase 2
0.625 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6238 Remote Similarity NPD4694 Approved
0.6238 Remote Similarity NPD4623 Approved
0.6238 Remote Similarity NPD5280 Approved
0.6238 Remote Similarity NPD4519 Discontinued
0.6238 Remote Similarity NPD3574 Clinical (unspecified phase)
0.623 Remote Similarity NPD7492 Approved
0.6214 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6101 Approved
0.6196 Remote Similarity NPD4747 Approved
0.6195 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6182 Remote Similarity NPD5091 Approved
0.6179 Remote Similarity NPD7507 Approved
0.6179 Remote Similarity NPD6336 Discontinued
0.6179 Remote Similarity NPD6616 Approved
0.617 Remote Similarity NPD5733 Approved
0.617 Remote Similarity NPD4058 Approved
0.6167 Remote Similarity NPD6054 Approved
0.6162 Remote Similarity NPD4221 Approved
0.6162 Remote Similarity NPD4223 Phase 3
0.6148 Remote Similarity NPD8328 Phase 3
0.6129 Remote Similarity NPD7078 Approved
0.6129 Remote Similarity NPD5276 Approved

Structure

External Identifiers

PubChem CID   86302557
ChEMBL   CHEMBL3234605
ZINC  

Physicochemical Properties

Molecular Weight:  392.22
ALogP:  0.5024
MLogP:  3.22
XLogP:  3.049
# Rotatable Bonds:  14
Polar Surface Area:  86.74
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  28

Download Data

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