Natural Product: NPC108532

Natural Product ID:  NPC108532
Common Name:   Microfolian
IUPAC Name:   (2R,6S)-2,5-dihydroxy-6-methoxy-4,6-bis(3-methylbut-2-enyl)-2-[(E)-3-phenylprop-2-enoyl]cyclohex-4-ene-1,3-dione
Synonyms:   Microfolian
Molecular Formula:   C26H30O6
Standard InCHIKey:  YUMQTFFNTQBOGJ-GZCDYTBJSA-N
Standard InCHI:  InChI=1S/C26H30O6/c1-17(2)11-13-20-22(28)25(32-5,16-15-18(3)4)24(30)26(31,23(20)29)21(27)14-12-19-9-7-6-8-10-19/h6-12,14-15,28,31H,13,16H2,1-5H3/b14-12+/t25-,26+/m0/s1
Canonical SMILES:  CO[C@@]1(CC=C(C)C)C(=C(CC=C(C)C)C(=O)[C@](C1=O)(O)C(=O)/C=C/c1ccccc1)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
NPO32494 cedrelopsis microfoliata Species Rutaceae Eukaryota PMID[12350164]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 3 ug/ml 26231157
NPT2 Others Unspecified IC50 = 4 ug/ml 26231157

  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 NPC108532 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
0.8235 Intermediate Similarity NPC471553
0.8182 Intermediate Similarity NPC474308
0.7818 Intermediate Similarity NPC473347
0.7795 Intermediate Similarity NPC236405
0.7788 Intermediate Similarity NPC158623
0.7778 Intermediate Similarity NPC475282
0.7769 Intermediate Similarity NPC471616
0.7768 Intermediate Similarity NPC476120
0.7734 Intermediate Similarity NPC81135
0.7731 Intermediate Similarity NPC477250
0.7699 Intermediate Similarity NPC54647
0.7679 Intermediate Similarity NPC278228
0.7611 Intermediate Similarity NPC145052
0.76 Intermediate Similarity NPC475827
0.76 Intermediate Similarity NPC474223
0.7542 Intermediate Similarity NPC20485
0.7541 Intermediate Similarity NPC469509
0.752 Intermediate Similarity NPC204784
0.75 Intermediate Similarity NPC471466
0.7482 Intermediate Similarity NPC80895
0.7482 Intermediate Similarity NPC471912
0.746 Intermediate Similarity NPC105709
0.7458 Intermediate Similarity NPC193640
0.7458 Intermediate Similarity NPC475905
0.7458 Intermediate Similarity NPC25385
0.7444 Intermediate Similarity NPC108553
0.7444 Intermediate Similarity NPC209851
0.7431 Intermediate Similarity NPC477704
0.7431 Intermediate Similarity NPC477693
0.7429 Intermediate Similarity NPC301946
0.7429 Intermediate Similarity NPC277053
0.7424 Intermediate Similarity NPC471832
0.7424 Intermediate Similarity NPC262819
0.7422 Intermediate Similarity NPC474254
0.7422 Intermediate Similarity NPC474159
0.7422 Intermediate Similarity NPC139171
0.7422 Intermediate Similarity NPC65627
0.7413 Intermediate Similarity NPC306799
0.7413 Intermediate Similarity NPC101043
0.7387 Intermediate Similarity NPC476484
0.7385 Intermediate Similarity NPC328997
0.7385 Intermediate Similarity NPC294050
0.7372 Intermediate Similarity NPC279676
0.7372 Intermediate Similarity NPC67349
0.7368 Intermediate Similarity NPC172673
0.7368 Intermediate Similarity NPC103048
0.7353 Intermediate Similarity NPC309056
0.7339 Intermediate Similarity NPC194326
0.7333 Intermediate Similarity NPC40178
0.7333 Intermediate Similarity NPC327410
0.7333 Intermediate Similarity NPC136994
0.7333 Intermediate Similarity NPC88255
0.7317 Intermediate Similarity NPC474363
0.731 Intermediate Similarity NPC219419
0.7305 Intermediate Similarity NPC127857
0.7304 Intermediate Similarity NPC179411
0.7304 Intermediate Similarity NPC154517
0.7295 Intermediate Similarity NPC292834
0.7292 Intermediate Similarity NPC51602
0.7292 Intermediate Similarity NPC471103
0.7281 Intermediate Similarity NPC12695
0.7279 Intermediate Similarity NPC212207
0.7273 Intermediate Similarity NPC316553
0.7266 Intermediate Similarity NPC179505
0.7266 Intermediate Similarity NPC156709
0.726 Intermediate Similarity NPC114357
0.726 Intermediate Similarity NPC155329
0.726 Intermediate Similarity NPC259144
0.7259 Intermediate Similarity NPC144257
0.7259 Intermediate Similarity NPC239302
0.7257 Intermediate Similarity NPC34243
0.7254 Intermediate Similarity NPC477737
0.7252 Intermediate Similarity NPC477363
0.7252 Intermediate Similarity NPC79608
0.7252 Intermediate Similarity NPC476033
0.725 Intermediate Similarity NPC47536
0.725 Intermediate Similarity NPC470391
0.7241 Intermediate Similarity NPC80115
0.7231 Intermediate Similarity NPC477362
0.7231 Intermediate Similarity NPC14141
0.7226 Intermediate Similarity NPC233350
0.7226 Intermediate Similarity NPC182217
0.7226 Intermediate Similarity NPC70680
0.7218 Intermediate Similarity NPC237182
0.7218 Intermediate Similarity NPC226101
0.7214 Intermediate Similarity NPC136649
0.7213 Intermediate Similarity NPC291799
0.7211 Intermediate Similarity NPC327225
0.7203 Intermediate Similarity NPC274443
0.72 Intermediate Similarity NPC216387
0.7197 Intermediate Similarity NPC146239
0.7192 Intermediate Similarity NPC11588
0.7192 Intermediate Similarity NPC248265
0.7192 Intermediate Similarity NPC134685
0.7192 Intermediate Similarity NPC229545
0.719 Intermediate Similarity NPC281604
0.7188 Intermediate Similarity NPC476225
0.7185 Intermediate Similarity NPC80599
0.7183 Intermediate Similarity NPC304956
0.7177 Intermediate Similarity NPC172525
0.7176 Intermediate Similarity NPC295664
0.7174 Intermediate Similarity NPC475549
0.7174 Intermediate Similarity NPC184109
0.7167 Intermediate Similarity NPC100767
0.7167 Intermediate Similarity NPC136962
0.7167 Intermediate Similarity NPC474376
0.7167 Intermediate Similarity NPC472316
0.7167 Intermediate Similarity NPC472315
0.7167 Intermediate Similarity NPC51174
0.7167 Intermediate Similarity NPC475203
0.7164 Intermediate Similarity NPC473443
0.7164 Intermediate Similarity NPC49272
0.7155 Intermediate Similarity NPC135951
0.7155 Intermediate Similarity NPC329387
0.7155 Intermediate Similarity NPC317280
0.7154 Intermediate Similarity NPC470355
0.7154 Intermediate Similarity NPC218855
0.7153 Intermediate Similarity NPC81698
0.7153 Intermediate Similarity NPC472247
0.7153 Intermediate Similarity NPC60509
0.7153 Intermediate Similarity NPC68517
0.7153 Intermediate Similarity NPC250046
0.7143 Intermediate Similarity NPC472707
0.7143 Intermediate Similarity NPC282239
0.7143 Intermediate Similarity NPC28951
0.7143 Intermediate Similarity NPC67585
0.7143 Intermediate Similarity NPC322021
0.7143 Intermediate Similarity NPC303967
0.7143 Intermediate Similarity NPC325646
0.7143 Intermediate Similarity NPC477408
0.7143 Intermediate Similarity NPC110420
0.7143 Intermediate Similarity NPC231627
0.7143 Intermediate Similarity NPC213567
0.7143 Intermediate Similarity NPC477370
0.7133 Intermediate Similarity NPC53884
0.7133 Intermediate Similarity NPC258671
0.7132 Intermediate Similarity NPC153453
0.7121 Intermediate Similarity NPC477366
0.712 Intermediate Similarity NPC93181
0.712 Intermediate Similarity NPC470764
0.712 Intermediate Similarity NPC114144
0.7119 Intermediate Similarity NPC244427
0.7119 Intermediate Similarity NPC222390
0.7111 Intermediate Similarity NPC476977
0.7111 Intermediate Similarity NPC291419
0.7111 Intermediate Similarity NPC60825
0.7107 Intermediate Similarity NPC156648
0.7103 Intermediate Similarity NPC91730
0.7103 Intermediate Similarity NPC161239
0.7103 Intermediate Similarity NPC165260
0.7103 Intermediate Similarity NPC7095
0.7103 Intermediate Similarity NPC112216
0.7103 Intermediate Similarity NPC471076
0.7103 Intermediate Similarity NPC192568
0.7103 Intermediate Similarity NPC198455
0.7099 Intermediate Similarity NPC325740
0.7099 Intermediate Similarity NPC138798
0.7099 Intermediate Similarity NPC140118
0.7099 Intermediate Similarity NPC12881
0.7097 Intermediate Similarity NPC471481
0.7097 Intermediate Similarity NPC474176
0.7095 Intermediate Similarity NPC106895
0.7092 Intermediate Similarity NPC182869
0.709 Intermediate Similarity NPC217431
0.709 Intermediate Similarity NPC225103
0.709 Intermediate Similarity NPC237225
0.709 Intermediate Similarity NPC469930
0.709 Intermediate Similarity NPC37968
0.7083 Intermediate Similarity NPC217918
0.7083 Intermediate Similarity NPC172483
0.7083 Intermediate Similarity NPC474307
0.708 Intermediate Similarity NPC19719
0.708 Intermediate Similarity NPC477280
0.708 Intermediate Similarity NPC477281
0.7075 Intermediate Similarity NPC146310
0.7075 Intermediate Similarity NPC231668
0.7073 Intermediate Similarity NPC477247
0.7071 Intermediate Similarity NPC475104
0.7071 Intermediate Similarity NPC283560
0.7071 Intermediate Similarity NPC24295
0.7069 Intermediate Similarity NPC240042
0.7069 Intermediate Similarity NPC289201
0.7069 Intermediate Similarity NPC477767
0.7068 Intermediate Similarity NPC477365
0.7068 Intermediate Similarity NPC51037
0.7068 Intermediate Similarity NPC477357
0.7063 Intermediate Similarity NPC471107
0.7063 Intermediate Similarity NPC23402
0.7063 Intermediate Similarity NPC32
0.7063 Intermediate Similarity NPC122491
0.7063 Intermediate Similarity NPC471100
0.7059 Intermediate Similarity NPC205360
0.7059 Intermediate Similarity NPC476976
0.7059 Intermediate Similarity NPC469499
0.7055 Intermediate Similarity NPC329657
0.7055 Intermediate Similarity NPC197037
0.7054 Intermediate Similarity NPC474222
0.7054 Intermediate Similarity NPC475804
0.705 Intermediate Similarity NPC255428
0.7047 Intermediate Similarity NPC472393

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC108532 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
0.7563 Intermediate Similarity NPD2067 Discontinued
0.7398 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.6984 Remote Similarity NPD2629 Approved
0.6942 Remote Similarity NPD5048 Discontinued
0.6929 Remote Similarity NPD4198 Discontinued
0.6905 Remote Similarity NPD6010 Discontinued
0.688 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6190 Approved
0.686 Remote Similarity NPD5909 Discontinued
0.686 Remote Similarity NPD1237 Approved
0.6807 Remote Similarity NPD2066 Phase 3
0.6777 Remote Similarity NPD6647 Phase 2
0.6774 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6716 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6712 Remote Similarity NPD7236 Approved
0.6691 Remote Similarity NPD6233 Phase 2
0.6643 Remote Similarity NPD2935 Discontinued
0.664 Remote Similarity NPD2182 Approved
0.6639 Remote Similarity NPD1930 Approved
0.6639 Remote Similarity NPD1929 Approved
0.6639 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6614 Remote Similarity NPD969 Suspended
0.6599 Remote Similarity NPD3300 Phase 2
0.6585 Remote Similarity NPD164 Approved
0.6583 Remote Similarity NPD9495 Approved
0.6565 Remote Similarity NPD5536 Phase 2
0.6554 Remote Similarity NPD6799 Approved
0.6541 Remote Similarity NPD5306 Approved
0.6541 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6541 Remote Similarity NPD5305 Approved
0.6538 Remote Similarity NPD3317 Approved
0.6535 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6516 Remote Similarity NPD3882 Suspended
0.6503 Remote Similarity NPD8368 Discontinued
0.65 Remote Similarity NPD6798 Discontinued
0.65 Remote Similarity NPD2313 Discontinued
0.6494 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6493 Remote Similarity NPD4135 Approved
0.6493 Remote Similarity NPD4136 Approved
0.6493 Remote Similarity NPD4106 Approved
0.649 Remote Similarity NPD7239 Suspended
0.6489 Remote Similarity NPD9493 Approved
0.6466 Remote Similarity NPD4102 Approved
0.6466 Remote Similarity NPD4105 Approved
0.6463 Remote Similarity NPD8166 Discontinued
0.6454 Remote Similarity NPD7961 Discontinued
0.6444 Remote Similarity NPD4806 Approved
0.6444 Remote Similarity NPD4807 Approved
0.6438 Remote Similarity NPD2424 Discontinued
0.6429 Remote Similarity NPD7095 Approved
0.6429 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6423 Remote Similarity NPD1932 Approved
0.6419 Remote Similarity NPD2354 Approved
0.6408 Remote Similarity NPD943 Approved
0.6405 Remote Similarity NPD6599 Discontinued
0.64 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6397 Remote Similarity NPD3972 Approved
0.6387 Remote Similarity NPD2801 Approved
0.6386 Remote Similarity NPD8407 Phase 2
0.6385 Remote Similarity NPD1241 Discontinued
0.6371 Remote Similarity NPD5738 Clinical (unspecified phase)
0.637 Remote Similarity NPD4879 Approved
0.637 Remote Similarity NPD2346 Discontinued
0.637 Remote Similarity NPD1471 Phase 3
0.637 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6369 Remote Similarity NPD7075 Discontinued
0.6364 Remote Similarity NPD405 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6355 Discontinued
0.6364 Remote Similarity NPD447 Suspended
0.6358 Remote Similarity NPD5049 Phase 3
0.6358 Remote Similarity NPD3751 Discontinued
0.6356 Remote Similarity NPD7609 Phase 3
0.6346 Remote Similarity NPD5402 Approved
0.6346 Remote Similarity NPD3817 Phase 2
0.6345 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6345 Remote Similarity NPD651 Clinical (unspecified phase)
0.6345 Remote Similarity NPD2799 Discontinued
0.6338 Remote Similarity NPD4062 Phase 3
0.6333 Remote Similarity NPD1693 Approved
0.6331 Remote Similarity NPD2798 Approved
0.6331 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6331 Remote Similarity NPD6085 Phase 2
0.6331 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6331 Remote Similarity NPD2788 Approved
0.6325 Remote Similarity NPD5347 Phase 2
0.6325 Remote Similarity NPD5346 Phase 2
0.6325 Remote Similarity NPD800 Approved
0.6323 Remote Similarity NPD6801 Discontinued
0.631 Remote Similarity NPD8434 Phase 2
0.631 Remote Similarity NPD8150 Discontinued
0.6303 Remote Similarity NPD7631 Approved
0.6299 Remote Similarity NPD4380 Phase 2
0.6294 Remote Similarity NPD1240 Approved
0.6293 Remote Similarity NPD4793 Discontinued
0.6293 Remote Similarity NPD1282 Approved
0.6286 Remote Similarity NPD9494 Approved
0.6282 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6277 Remote Similarity NPD4878 Approved
0.6271 Remote Similarity NPD1090 Approved
0.6271 Remote Similarity NPD1086 Approved
0.6271 Remote Similarity NPD1089 Approved
0.6268 Remote Similarity NPD3268 Approved
0.626 Remote Similarity NPD7798 Approved
0.626 Remote Similarity NPD2652 Approved
0.626 Remote Similarity NPD2650 Approved
0.626 Remote Similarity NPD1238 Approved
0.6259 Remote Similarity NPD1470 Approved
0.6258 Remote Similarity NPD7799 Discontinued
0.625 Remote Similarity NPD230 Phase 1
0.625 Remote Similarity NPD2329 Discontinued
0.6241 Remote Similarity NPD694 Clinical (unspecified phase)
0.6235 Remote Similarity NPD8435 Approved
0.6228 Remote Similarity NPD9491 Approved
0.6222 Remote Similarity NPD4196 Clinical (unspecified phase)
0.622 Remote Similarity NPD6685 Approved
0.6218 Remote Similarity NPD1934 Approved
0.6214 Remote Similarity NPD5647 Approved
0.6212 Remote Similarity NPD5951 Approved
0.6211 Remote Similarity NPD3787 Discontinued
0.6209 Remote Similarity NPD5403 Approved
0.6207 Remote Similarity NPD1607 Approved
0.6204 Remote Similarity NPD6287 Discontinued
0.6203 Remote Similarity NPD7057 Phase 3
0.6203 Remote Similarity NPD7058 Phase 2
0.6202 Remote Similarity NPD1317 Discontinued
0.62 Remote Similarity NPD3887 Approved
0.6195 Remote Similarity NPD226 Approved
0.6194 Remote Similarity NPD7610 Discontinued
0.6187 Remote Similarity NPD5667 Approved
0.6184 Remote Similarity NPD5401 Approved
0.6184 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6181 Remote Similarity NPD4060 Phase 1
0.6179 Remote Similarity NPD5926 Approved
0.6176 Remote Similarity NPD2932 Approved
0.6176 Remote Similarity NPD5125 Phase 3
0.6176 Remote Similarity NPD5126 Approved
0.617 Remote Similarity NPD5204 Approved
0.6167 Remote Similarity NPD1088 Approved
0.6159 Remote Similarity NPD6637 Approved
0.6159 Remote Similarity NPD9717 Approved
0.6154 Remote Similarity NPD650 Approved
0.6149 Remote Similarity NPD1247 Approved
0.6149 Remote Similarity NPD2344 Approved
0.6149 Remote Similarity NPD2353 Approved
0.6149 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6148 Remote Similarity NPD7009 Phase 2
0.6148 Remote Similarity NPD1989 Approved
0.6148 Remote Similarity NPD9545 Approved
0.6144 Remote Similarity NPD1512 Approved
0.6143 Remote Similarity NPD2797 Approved
0.614 Remote Similarity NPD8360 Approved
0.614 Remote Similarity NPD8361 Approved
0.6135 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6135 Remote Similarity NPD6166 Phase 2
0.6135 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6134 Remote Similarity NPD9256 Approved
0.6134 Remote Similarity NPD3672 Approved
0.6134 Remote Similarity NPD3673 Approved
0.6134 Remote Similarity NPD9258 Approved
0.6133 Remote Similarity NPD2575 Approved
0.6133 Remote Similarity NPD4628 Phase 3
0.6131 Remote Similarity NPD3847 Discontinued
0.6127 Remote Similarity NPD6832 Phase 2
0.6127 Remote Similarity NPD4617 Approved
0.6127 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6127 Remote Similarity NPD5203 Approved
0.6127 Remote Similarity NPD4620 Approved
0.6127 Remote Similarity NPD5201 Approved
0.6124 Remote Similarity NPD2684 Approved
0.6122 Remote Similarity NPD1510 Phase 2
0.6122 Remote Similarity NPD7033 Discontinued
0.6116 Remote Similarity NPD1202 Approved
0.6111 Remote Similarity NPD5765 Approved
0.6103 Remote Similarity NPD1651 Approved
0.6098 Remote Similarity NPD3495 Discontinued
0.6096 Remote Similarity NPD6651 Approved
0.609 Remote Similarity NPD7028 Phase 2
0.6087 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6087 Remote Similarity NPD1201 Approved
0.6087 Remote Similarity NPD5494 Approved
0.6084 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6084 Remote Similarity NPD7008 Discontinued
0.6083 Remote Similarity NPD1239 Approved
0.608 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6078 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6077 Remote Similarity NPD3021 Approved
0.6077 Remote Similarity NPD3022 Approved
0.6071 Remote Similarity NPD1876 Approved
0.6069 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6067 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6067 Remote Similarity NPD2800 Approved
0.6066 Remote Similarity NPD688 Clinical (unspecified phase)
0.6061 Remote Similarity NPD7094 Approved
0.6061 Remote Similarity NPD6858 Approved
0.6061 Remote Similarity NPD7843 Approved
0.6059 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6058 Remote Similarity NPD7163 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10884656
ChEMBL   CHEMBL489353
ZINC  

Physicochemical Properties

Molecular Weight:  438.20
ALogP:  1.6929
MLogP:  3.66
XLogP:  5.684
# Rotatable Bonds:  15
Polar Surface Area:  100.9
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  32

Download Data

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