Natural Product: NPC241507

Natural Product ID:  NPC241507
Common Name:   Multifidone
IUPAC Name:  
Synonyms:   Multifidone
Molecular Formula:   C20H26O3
Standard InCHIKey:  OGBBKQPQDQUFAJ-TXPSXNJGSA-N
Standard InCHI:  InChI=1S/C20H26O3/c1-11-8-16(21)20-12(2)9-14-13(18(14,3)4)6-7-19(5,23-20)10-15(20)17(11)22/h8,10,12-14H,6-7,9H2,1-5H3/t12-,13+,14-,19+,20-/m1/s1
Canonical SMILES:  CC1=CC(=O)[C@@]23C(=C[C@](O2)(C)CC[C@H]2[C@@H](C[C@H]3C)C2(C)C)C1=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
NPO28682 Jatropha multifida Species Euphorbiaceae Eukaryota PMID[19036584]
NPO29268 Phyllanthus simplex Species Leiothrichidae Eukaryota UNPD*
NPO28875 Mycobacterium aurum Species Mycobacteriaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1970 Cell Line THP-1 Homo sapiens IC50 = 45630 nM 19036584
NPT116 Cell Line HL-60 Homo sapiens IC50 = 120700 nM 19036584
NPT1083 Cell Line A-375 Homo sapiens IC50 = 159050 nM 19036584
NPT81 Cell Line A549 Homo sapiens IC50 = 127120 nM 19036584

  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 NPC241507 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
0.8295 Intermediate Similarity NPC96621
0.7841 Intermediate Similarity NPC474353
0.7667 Intermediate Similarity NPC193198
0.7604 Intermediate Similarity NPC476596
0.7582 Intermediate Similarity NPC60951
0.7579 Intermediate Similarity NPC166110
0.75 Intermediate Similarity NPC476598
0.75 Intermediate Similarity NPC476597
0.75 Intermediate Similarity NPC248193
0.75 Intermediate Similarity NPC189311
0.7475 Intermediate Similarity NPC264378
0.7449 Intermediate Similarity NPC94337
0.7447 Intermediate Similarity NPC469653
0.7447 Intermediate Similarity NPC475902
0.7447 Intermediate Similarity NPC471047
0.7447 Intermediate Similarity NPC469628
0.7447 Intermediate Similarity NPC475906
0.7447 Intermediate Similarity NPC469631
0.7423 Intermediate Similarity NPC470697
0.7419 Intermediate Similarity NPC279859
0.7419 Intermediate Similarity NPC38576
0.7419 Intermediate Similarity NPC261721
0.7396 Intermediate Similarity NPC193396
0.7396 Intermediate Similarity NPC32944
0.7368 Intermediate Similarity NPC95364
0.7368 Intermediate Similarity NPC142159
0.7363 Intermediate Similarity NPC186276
0.7353 Intermediate Similarity NPC131366
0.7327 Intermediate Similarity NPC207885
0.7312 Intermediate Similarity NPC476678
0.7303 Intermediate Similarity NPC471220
0.7292 Intermediate Similarity NPC38952
0.7283 Intermediate Similarity NPC222358
0.7253 Intermediate Similarity NPC474085
0.7253 Intermediate Similarity NPC282293
0.7245 Intermediate Similarity NPC148463
0.7234 Intermediate Similarity NPC472863
0.7222 Intermediate Similarity NPC150646
0.7216 Intermediate Similarity NPC478244
0.7216 Intermediate Similarity NPC478243
0.7204 Intermediate Similarity NPC30486
0.7204 Intermediate Similarity NPC474359
0.72 Intermediate Similarity NPC471916
0.7191 Intermediate Similarity NPC180290
0.7188 Intermediate Similarity NPC280833
0.7188 Intermediate Similarity NPC5509
0.7172 Intermediate Similarity NPC295347
0.7172 Intermediate Similarity NPC474490
0.7158 Intermediate Similarity NPC312561
0.7158 Intermediate Similarity NPC478145
0.7157 Intermediate Similarity NPC112613
0.7143 Intermediate Similarity NPC115021
0.7143 Intermediate Similarity NPC304795
0.7143 Intermediate Similarity NPC47747
0.7128 Intermediate Similarity NPC133652
0.7113 Intermediate Similarity NPC8062
0.7113 Intermediate Similarity NPC471818
0.7113 Intermediate Similarity NPC213636
0.7113 Intermediate Similarity NPC253177
0.7113 Intermediate Similarity NPC280592
0.7113 Intermediate Similarity NPC51486
0.7111 Intermediate Similarity NPC128276
0.7097 Intermediate Similarity NPC53867
0.7097 Intermediate Similarity NPC22611
0.7083 Intermediate Similarity NPC226863
0.7079 Intermediate Similarity NPC27205
0.7079 Intermediate Similarity NPC40353
0.7075 Intermediate Similarity NPC322903
0.7071 Intermediate Similarity NPC469632
0.7071 Intermediate Similarity NPC38830
0.7071 Intermediate Similarity NPC53685
0.7065 Intermediate Similarity NPC471325
0.7064 Intermediate Similarity NPC159333
0.7059 Intermediate Similarity NPC474012
0.7059 Intermediate Similarity NPC476299
0.7059 Intermediate Similarity NPC469551
0.7045 Intermediate Similarity NPC167049
0.7045 Intermediate Similarity NPC469691
0.7041 Intermediate Similarity NPC296114
0.7041 Intermediate Similarity NPC219874
0.7041 Intermediate Similarity NPC20713
0.7041 Intermediate Similarity NPC472953
0.7041 Intermediate Similarity NPC471329
0.7041 Intermediate Similarity NPC45579
0.7033 Intermediate Similarity NPC178277
0.703 Intermediate Similarity NPC38530
0.703 Intermediate Similarity NPC151488
0.703 Intermediate Similarity NPC84335
0.703 Intermediate Similarity NPC208094
0.7021 Intermediate Similarity NPC149869
0.7021 Intermediate Similarity NPC475100
0.7019 Intermediate Similarity NPC271059
0.7019 Intermediate Similarity NPC25666
0.701 Intermediate Similarity NPC73995
0.7 Intermediate Similarity NPC127197
0.7 Intermediate Similarity NPC209355
0.7 Intermediate Similarity NPC57744
0.699 Remote Similarity NPC472643
0.699 Remote Similarity NPC469851
0.6989 Remote Similarity NPC200513
0.6989 Remote Similarity NPC145963
0.6989 Remote Similarity NPC35556
0.6979 Remote Similarity NPC171722
0.6979 Remote Similarity NPC478144
0.6977 Remote Similarity NPC265574
0.697 Remote Similarity NPC229976
0.697 Remote Similarity NPC475657
0.6966 Remote Similarity NPC469678
0.6966 Remote Similarity NPC469669
0.6966 Remote Similarity NPC475771
0.6966 Remote Similarity NPC244166
0.6961 Remote Similarity NPC54843
0.6961 Remote Similarity NPC222011
0.6957 Remote Similarity NPC108955
0.6947 Remote Similarity NPC6185
0.6947 Remote Similarity NPC33570
0.6947 Remote Similarity NPC132629
0.6947 Remote Similarity NPC21471
0.6947 Remote Similarity NPC70685
0.6947 Remote Similarity NPC241512
0.6947 Remote Similarity NPC8518
0.6947 Remote Similarity NPC263997
0.6947 Remote Similarity NPC179006
0.6947 Remote Similarity NPC15838
0.6947 Remote Similarity NPC132228
0.6947 Remote Similarity NPC177932
0.6947 Remote Similarity NPC474853
0.6939 Remote Similarity NPC475823
0.6939 Remote Similarity NPC281942
0.6939 Remote Similarity NPC232426
0.6939 Remote Similarity NPC223093
0.6939 Remote Similarity NPC474209
0.6939 Remote Similarity NPC113393
0.6939 Remote Similarity NPC152467
0.6931 Remote Similarity NPC172998
0.6923 Remote Similarity NPC478122
0.6923 Remote Similarity NPC99182
0.6923 Remote Similarity NPC478246
0.6923 Remote Similarity NPC253749
0.6923 Remote Similarity NPC478247
0.6923 Remote Similarity NPC25639
0.6923 Remote Similarity NPC207772
0.6915 Remote Similarity NPC474703
0.6915 Remote Similarity NPC118423
0.6915 Remote Similarity NPC288281
0.6907 Remote Similarity NPC478261
0.6907 Remote Similarity NPC269677
0.6907 Remote Similarity NPC478259
0.6907 Remote Similarity NPC215831
0.6907 Remote Similarity NPC478260
0.6907 Remote Similarity NPC307298
0.6907 Remote Similarity NPC472302
0.69 Remote Similarity NPC477241
0.69 Remote Similarity NPC84893
0.69 Remote Similarity NPC121825
0.6893 Remote Similarity NPC54705
0.6893 Remote Similarity NPC174314
0.6889 Remote Similarity NPC473223
0.6887 Remote Similarity NPC1679
0.6882 Remote Similarity NPC42470
0.6882 Remote Similarity NPC55869
0.6882 Remote Similarity NPC325031
0.6881 Remote Similarity NPC317107
0.6875 Remote Similarity NPC243065
0.6875 Remote Similarity NPC474045
0.6875 Remote Similarity NPC291712
0.6875 Remote Similarity NPC220478
0.6875 Remote Similarity NPC470346
0.6875 Remote Similarity NPC261253
0.6875 Remote Similarity NPC472479
0.6875 Remote Similarity NPC194417
0.6869 Remote Similarity NPC141831
0.6869 Remote Similarity NPC190442
0.6869 Remote Similarity NPC472814
0.6869 Remote Similarity NPC177037
0.6869 Remote Similarity NPC472705
0.6869 Remote Similarity NPC49420
0.6869 Remote Similarity NPC26865
0.6863 Remote Similarity NPC53844
0.6863 Remote Similarity NPC239895
0.6863 Remote Similarity NPC69385
0.6857 Remote Similarity NPC474166
0.6857 Remote Similarity NPC19239
0.6848 Remote Similarity NPC471299
0.6848 Remote Similarity NPC476177
0.6842 Remote Similarity NPC82297
0.6842 Remote Similarity NPC219011
0.6842 Remote Similarity NPC475796
0.6842 Remote Similarity NPC90446
0.6837 Remote Similarity NPC168131
0.6837 Remote Similarity NPC285982
0.6837 Remote Similarity NPC173042
0.6837 Remote Similarity NPC284561
0.6837 Remote Similarity NPC305039
0.6832 Remote Similarity NPC470978
0.6832 Remote Similarity NPC33473
0.6832 Remote Similarity NPC183012
0.6832 Remote Similarity NPC234339
0.6832 Remote Similarity NPC273197
0.6832 Remote Similarity NPC470974

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC241507 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
0.7216 Intermediate Similarity NPD5693 Phase 1
0.6989 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6947 Remote Similarity NPD1694 Approved
0.6837 Remote Similarity NPD6673 Approved
0.6837 Remote Similarity NPD6904 Approved
0.6837 Remote Similarity NPD6080 Approved
0.6809 Remote Similarity NPD5209 Approved
0.6774 Remote Similarity NPD4695 Discontinued
0.6771 Remote Similarity NPD1696 Phase 3
0.6768 Remote Similarity NPD5692 Phase 3
0.6735 Remote Similarity NPD5737 Approved
0.6735 Remote Similarity NPD6672 Approved
0.6701 Remote Similarity NPD6098 Approved
0.6701 Remote Similarity NPD5690 Phase 2
0.67 Remote Similarity NPD6050 Approved
0.67 Remote Similarity NPD5694 Approved
0.6667 Remote Similarity NPD4197 Approved
0.6633 Remote Similarity NPD3573 Approved
0.6598 Remote Similarity NPD5329 Approved
0.6569 Remote Similarity NPD5282 Discontinued
0.6538 Remote Similarity NPD5959 Approved
0.6531 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4694 Approved
0.6531 Remote Similarity NPD4519 Discontinued
0.6531 Remote Similarity NPD4623 Approved
0.6531 Remote Similarity NPD5280 Approved
0.6505 Remote Similarity NPD5695 Phase 3
0.6458 Remote Similarity NPD4223 Phase 3
0.6458 Remote Similarity NPD4221 Approved
0.6437 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5785 Approved
0.6435 Remote Similarity NPD7115 Discovery
0.6408 Remote Similarity NPD6001 Approved
0.64 Remote Similarity NPD5208 Approved
0.6383 Remote Similarity NPD3617 Approved
0.6381 Remote Similarity NPD6083 Phase 2
0.6381 Remote Similarity NPD6084 Phase 2
0.6364 Remote Similarity NPD6409 Approved
0.6364 Remote Similarity NPD6684 Approved
0.6364 Remote Similarity NPD5330 Approved
0.6364 Remote Similarity NPD7521 Approved
0.6364 Remote Similarity NPD7334 Approved
0.6364 Remote Similarity NPD7146 Approved
0.6346 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6346 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6346 Remote Similarity NPD5654 Approved
0.6339 Remote Similarity NPD6371 Approved
0.6337 Remote Similarity NPD4753 Phase 2
0.6333 Remote Similarity NPD4691 Approved
0.6321 Remote Similarity NPD5696 Approved
0.6311 Remote Similarity NPD5133 Approved
0.6289 Remote Similarity NPD3667 Approved
0.6289 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6275 Remote Similarity NPD5207 Approved
0.625 Remote Similarity NPD7331 Phase 2
0.6238 Remote Similarity NPD6903 Approved
0.6238 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6237 Remote Similarity NPD8039 Approved
0.6222 Remote Similarity NPD4137 Phase 3
0.6216 Remote Similarity NPD5697 Approved
0.62 Remote Similarity NPD4688 Approved
0.62 Remote Similarity NPD3618 Phase 1
0.62 Remote Similarity NPD4138 Approved
0.62 Remote Similarity NPD5205 Approved
0.62 Remote Similarity NPD4689 Approved
0.62 Remote Similarity NPD5279 Phase 3
0.62 Remote Similarity NPD4690 Approved
0.62 Remote Similarity NPD4693 Phase 3
0.619 Remote Similarity NPD4629 Approved
0.619 Remote Similarity NPD5210 Approved
0.6168 Remote Similarity NPD4225 Approved
0.6162 Remote Similarity NPD3133 Approved
0.6162 Remote Similarity NPD4786 Approved
0.6162 Remote Similarity NPD3665 Phase 1
0.6162 Remote Similarity NPD3668 Phase 3
0.6162 Remote Similarity NPD3666 Approved
0.6161 Remote Similarity NPD6899 Approved
0.6161 Remote Similarity NPD6011 Approved
0.6161 Remote Similarity NPD6881 Approved
0.6154 Remote Similarity NPD6399 Phase 3
0.6154 Remote Similarity NPD4747 Approved
0.6147 Remote Similarity NPD5211 Phase 2
0.614 Remote Similarity NPD6650 Approved
0.614 Remote Similarity NPD6649 Approved
0.6136 Remote Similarity NPD7341 Phase 2
0.6132 Remote Similarity NPD5222 Approved
0.6132 Remote Similarity NPD4697 Phase 3
0.6132 Remote Similarity NPD5221 Approved
0.6132 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6129 Remote Similarity NPD4058 Approved
0.6126 Remote Similarity NPD5739 Approved
0.6126 Remote Similarity NPD7128 Approved
0.6126 Remote Similarity NPD6402 Approved
0.6126 Remote Similarity NPD6675 Approved
0.6111 Remote Similarity NPD5286 Approved
0.6111 Remote Similarity NPD4696 Approved
0.6111 Remote Similarity NPD5285 Approved
0.6106 Remote Similarity NPD6372 Approved
0.6106 Remote Similarity NPD6012 Approved
0.6106 Remote Similarity NPD6013 Approved
0.6106 Remote Similarity NPD6014 Approved
0.6106 Remote Similarity NPD6373 Approved
0.6105 Remote Similarity NPD4756 Discovery
0.6095 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6095 Remote Similarity NPD7900 Approved
0.6092 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6078 Remote Similarity NPD4518 Approved
0.6075 Remote Similarity NPD4755 Approved
0.6075 Remote Similarity NPD5173 Approved
0.6071 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6071 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5701 Approved
0.6071 Remote Similarity NPD6614 Approved
0.6058 Remote Similarity NPD6079 Approved
0.6055 Remote Similarity NPD5223 Approved
0.6053 Remote Similarity NPD7290 Approved
0.6053 Remote Similarity NPD6883 Approved
0.6053 Remote Similarity NPD7102 Approved
0.6036 Remote Similarity NPD5141 Approved
0.6019 Remote Similarity NPD1695 Approved
0.6019 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6019 Remote Similarity NPD5328 Approved
0.6018 Remote Similarity NPD7320 Approved
0.6 Remote Similarity NPD5226 Approved
0.6 Remote Similarity NPD6869 Approved
0.6 Remote Similarity NPD4202 Approved
0.6 Remote Similarity NPD8130 Phase 1
0.6 Remote Similarity NPD6617 Approved
0.6 Remote Similarity NPD4633 Approved
0.6 Remote Similarity NPD5225 Approved
0.6 Remote Similarity NPD6847 Approved
0.6 Remote Similarity NPD5224 Approved
0.5982 Remote Similarity NPD6008 Approved
0.5979 Remote Similarity NPD4195 Approved
0.5963 Remote Similarity NPD4700 Approved
0.5957 Remote Similarity NPD4687 Approved
0.5957 Remote Similarity NPD5733 Approved
0.5955 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5948 Remote Similarity NPD8297 Approved
0.5948 Remote Similarity NPD6882 Approved
0.5946 Remote Similarity NPD5175 Approved
0.5946 Remote Similarity NPD5174 Approved
0.5943 Remote Similarity NPD7748 Approved
0.5941 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5941 Remote Similarity NPD5363 Approved
0.5926 Remote Similarity NPD7902 Approved
0.5914 Remote Similarity NPD5276 Approved
0.5913 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5913 Remote Similarity NPD4634 Approved
0.5905 Remote Similarity NPD5284 Approved
0.5905 Remote Similarity NPD5281 Approved
0.5872 Remote Similarity NPD7638 Approved
0.5868 Remote Similarity NPD6054 Approved
0.5868 Remote Similarity NPD6319 Approved
0.5862 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5856 Remote Similarity NPD5091 Approved
0.5826 Remote Similarity NPD4061 Clinical (unspecified phase)
0.582 Remote Similarity NPD6015 Approved
0.582 Remote Similarity NPD6016 Approved
0.5818 Remote Similarity NPD7640 Approved
0.5818 Remote Similarity NPD7639 Approved
0.5814 Remote Similarity NPD287 Approved
0.581 Remote Similarity NPD6698 Approved
0.581 Remote Similarity NPD4096 Approved
0.581 Remote Similarity NPD46 Approved
0.5804 Remote Similarity NPD4754 Approved
0.5798 Remote Similarity NPD6274 Approved
0.5772 Remote Similarity NPD5988 Approved
0.5772 Remote Similarity NPD6370 Approved
0.5761 Remote Similarity NPD3621 Clinical (unspecified phase)
0.5758 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5755 Remote Similarity NPD6411 Approved
0.5755 Remote Similarity NPD7515 Phase 2
0.575 Remote Similarity NPD6317 Approved
0.5739 Remote Similarity NPD4730 Approved
0.5739 Remote Similarity NPD4729 Approved
0.5739 Remote Similarity NPD5128 Approved
0.5739 Remote Similarity NPD6686 Approved
0.5738 Remote Similarity NPD6059 Approved
0.5728 Remote Similarity NPD5786 Approved
0.5726 Remote Similarity NPD7604 Phase 2
0.5714 Remote Similarity NPD6051 Approved
0.5714 Remote Similarity NPD3704 Approved
0.5702 Remote Similarity NPD6314 Approved
0.5702 Remote Similarity NPD4767 Approved
0.5702 Remote Similarity NPD6313 Approved
0.5702 Remote Similarity NPD4768 Approved
0.5702 Remote Similarity NPD6335 Approved
0.5701 Remote Similarity NPD5778 Approved
0.5701 Remote Similarity NPD5779 Approved
0.57 Remote Similarity NPD4692 Approved
0.57 Remote Similarity NPD4139 Approved
0.57 Remote Similarity NPD5369 Approved
0.568 Remote Similarity NPD7492 Approved
0.5667 Remote Similarity NPD6868 Approved
0.5664 Remote Similarity NPD6052 Approved
0.5656 Remote Similarity NPD7100 Approved
0.5656 Remote Similarity NPD7101 Approved
0.5644 Remote Similarity NPD4269 Approved
0.5644 Remote Similarity NPD4270 Approved

Structure

External Identifiers

PubChem CID   25181402
ChEMBL   CHEMBL517043
ZINC  

Physicochemical Properties

Molecular Weight:  314.19
ALogP:  1.8203
MLogP:  3.33
XLogP:  3.488
# Rotatable Bonds:  5
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  23

Download Data

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