Natural Product: NPC90676

Natural Product ID:  NPC90676
Common Name:   Laxiflorin K
IUPAC Name:  
Synonyms:   laxiflorin K
Molecular Formula:   C20H26O6
Standard InCHIKey:  XZFHMEUZEDXJRJ-UWLOGKIWSA-N
Standard InCHI:  InChI=1S/C20H26O6/c1-18(2)13-5-12(22)20(8-26-13)11-4-3-9-6-19(11,16(24)10(9)7-21)17(25)14(23)15(18)20/h9-11,13-15,21,23H,3-8H2,1-2H3/t9-,10-,11-,13-,14+,15-,19+,20-/m1/s1
Canonical SMILES:  OC[C@@H]1[C@@H]2CC[C@@H]3[C@](C1=O)(C2)C(=O)[C@@H](O)[C@H]1[C@@]23CO[C@@H](C1(C)C)CC2=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
NPO1927.1 Isodon eriocalyx var. laxiflora Varieties Lamiaceae Eukaryota PMID[12502334]
NPO1927.1 Isodon eriocalyx var. laxiflora Varieties Lamiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 = 11.87 ug/ml 12502334
NPT550 Cell Line T-24 Homo sapiens IC50 = 1753.17 ug/ml 12502334

  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 NPC90676 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
0.8837 High Similarity NPC120395
0.8602 High Similarity NPC288
0.8602 High Similarity NPC109059
0.8409 Intermediate Similarity NPC248216
0.837 Intermediate Similarity NPC247877
0.837 Intermediate Similarity NPC309127
0.8333 Intermediate Similarity NPC200580
0.8242 Intermediate Similarity NPC476296
0.8222 Intermediate Similarity NPC236459
0.8095 Intermediate Similarity NPC472487
0.8095 Intermediate Similarity NPC472486
0.8085 Intermediate Similarity NPC62407
0.8085 Intermediate Similarity NPC287354
0.8072 Intermediate Similarity NPC133922
0.8068 Intermediate Similarity NPC327451
0.8061 Intermediate Similarity NPC266
0.8022 Intermediate Similarity NPC226491
0.8022 Intermediate Similarity NPC477614
0.8021 Intermediate Similarity NPC476294
0.8 Intermediate Similarity NPC165616
0.8 Intermediate Similarity NPC193785
0.8 Intermediate Similarity NPC221420
0.7978 Intermediate Similarity NPC50438
0.7976 Intermediate Similarity NPC125767
0.7976 Intermediate Similarity NPC21220
0.7955 Intermediate Similarity NPC328007
0.7955 Intermediate Similarity NPC61107
0.7955 Intermediate Similarity NPC289486
0.7955 Intermediate Similarity NPC271163
0.7955 Intermediate Similarity NPC30583
0.7935 Intermediate Similarity NPC61688
0.7895 Intermediate Similarity NPC305808
0.7889 Intermediate Similarity NPC473350
0.7882 Intermediate Similarity NPC5767
0.7882 Intermediate Similarity NPC475742
0.7872 Intermediate Similarity NPC476189
0.7857 Intermediate Similarity NPC254340
0.7831 Intermediate Similarity NPC89310
0.7816 Intermediate Similarity NPC320144
0.7816 Intermediate Similarity NPC275243
0.7802 Intermediate Similarity NPC476726
0.7802 Intermediate Similarity NPC476727
0.78 Intermediate Similarity NPC88469
0.7791 Intermediate Similarity NPC23884
0.7778 Intermediate Similarity NPC475689
0.7778 Intermediate Similarity NPC474996
0.7778 Intermediate Similarity NPC473336
0.7778 Intermediate Similarity NPC25037
0.7778 Intermediate Similarity NPC471044
0.7778 Intermediate Similarity NPC470172
0.7778 Intermediate Similarity NPC34984
0.7778 Intermediate Similarity NPC163249
0.7778 Intermediate Similarity NPC471254
0.7765 Intermediate Similarity NPC195155
0.7765 Intermediate Similarity NPC159789
0.7765 Intermediate Similarity NPC97534
0.7765 Intermediate Similarity NPC174964
0.7742 Intermediate Similarity NPC67653
0.7742 Intermediate Similarity NPC471459
0.7738 Intermediate Similarity NPC232112
0.7717 Intermediate Similarity NPC470920
0.7717 Intermediate Similarity NPC263802
0.7701 Intermediate Similarity NPC185465
0.77 Intermediate Similarity NPC473406
0.77 Intermediate Similarity NPC107385
0.77 Intermediate Similarity NPC471253
0.7692 Intermediate Similarity NPC62572
0.7692 Intermediate Similarity NPC477205
0.7684 Intermediate Similarity NPC161035
0.7677 Intermediate Similarity NPC14634
0.7667 Intermediate Similarity NPC472847
0.766 Intermediate Similarity NPC77756
0.764 Intermediate Similarity NPC50658
0.7629 Intermediate Similarity NPC223169
0.7624 Intermediate Similarity NPC470167
0.7624 Intermediate Similarity NPC474558
0.7619 Intermediate Similarity NPC151018
0.7619 Intermediate Similarity NPC58057
0.7619 Intermediate Similarity NPC156277
0.7619 Intermediate Similarity NPC320549
0.7614 Intermediate Similarity NPC472310
0.7609 Intermediate Similarity NPC80700
0.76 Intermediate Similarity NPC272472
0.759 Intermediate Similarity NPC213178
0.759 Intermediate Similarity NPC327728
0.759 Intermediate Similarity NPC6120
0.759 Intermediate Similarity NPC131892
0.7586 Intermediate Similarity NPC317913
0.7586 Intermediate Similarity NPC207010
0.7586 Intermediate Similarity NPC475031
0.7582 Intermediate Similarity NPC105895
0.7582 Intermediate Similarity NPC319909
0.7582 Intermediate Similarity NPC237938
0.7582 Intermediate Similarity NPC219535
0.7558 Intermediate Similarity NPC273366
0.7558 Intermediate Similarity NPC472311
0.7556 Intermediate Similarity NPC317066
0.7556 Intermediate Similarity NPC268040
0.7553 Intermediate Similarity NPC477440
0.7553 Intermediate Similarity NPC477443
0.7528 Intermediate Similarity NPC261616
0.7528 Intermediate Similarity NPC1882
0.7527 Intermediate Similarity NPC57469
0.7526 Intermediate Similarity NPC17336
0.75 Intermediate Similarity NPC472148
0.75 Intermediate Similarity NPC472147
0.75 Intermediate Similarity NPC148279
0.75 Intermediate Similarity NPC60947
0.75 Intermediate Similarity NPC475725
0.7475 Intermediate Similarity NPC26270
0.7474 Intermediate Similarity NPC477433
0.7474 Intermediate Similarity NPC477444
0.7474 Intermediate Similarity NPC477442
0.7473 Intermediate Similarity NPC472744
0.7471 Intermediate Similarity NPC4209
0.7471 Intermediate Similarity NPC471046
0.7453 Intermediate Similarity NPC40608
0.7449 Intermediate Similarity NPC476728
0.7447 Intermediate Similarity NPC3032
0.7447 Intermediate Similarity NPC131104
0.7447 Intermediate Similarity NPC473319
0.7444 Intermediate Similarity NPC58631
0.7444 Intermediate Similarity NPC469745
0.7423 Intermediate Similarity NPC303863
0.7423 Intermediate Similarity NPC206878
0.7419 Intermediate Similarity NPC302111
0.7419 Intermediate Similarity NPC83242
0.7416 Intermediate Similarity NPC80891
0.7416 Intermediate Similarity NPC201276
0.7412 Intermediate Similarity NPC473267
0.7412 Intermediate Similarity NPC109457
0.7412 Intermediate Similarity NPC100586
0.7412 Intermediate Similarity NPC157422
0.7404 Intermediate Similarity NPC316930
0.7404 Intermediate Similarity NPC232133
0.74 Intermediate Similarity NPC55503
0.74 Intermediate Similarity NPC267921
0.74 Intermediate Similarity NPC156324
0.7396 Intermediate Similarity NPC52756
0.7396 Intermediate Similarity NPC250753
0.7391 Intermediate Similarity NPC477434
0.7386 Intermediate Similarity NPC477918
0.7386 Intermediate Similarity NPC143133
0.7386 Intermediate Similarity NPC298168
0.7386 Intermediate Similarity NPC471151
0.7379 Intermediate Similarity NPC130511
0.7379 Intermediate Similarity NPC307660
0.7374 Intermediate Similarity NPC190080
0.7374 Intermediate Similarity NPC74466
0.7374 Intermediate Similarity NPC111187
0.7374 Intermediate Similarity NPC471241
0.7363 Intermediate Similarity NPC13494
0.7358 Intermediate Similarity NPC473062
0.7356 Intermediate Similarity NPC68565
0.7356 Intermediate Similarity NPC267753
0.7356 Intermediate Similarity NPC212733
0.7356 Intermediate Similarity NPC35871
0.7353 Intermediate Similarity NPC139347
0.7353 Intermediate Similarity NPC96217
0.7349 Intermediate Similarity NPC472984
0.7347 Intermediate Similarity NPC470031
0.7347 Intermediate Similarity NPC266431
0.734 Intermediate Similarity NPC252714
0.734 Intermediate Similarity NPC239938
0.7333 Intermediate Similarity NPC321661
0.7333 Intermediate Similarity NPC320475
0.7333 Intermediate Similarity NPC470615
0.7333 Intermediate Similarity NPC469825
0.7333 Intermediate Similarity NPC470609
0.7333 Intermediate Similarity NPC477851
0.7333 Intermediate Similarity NPC469983
0.7327 Intermediate Similarity NPC236585
0.7327 Intermediate Similarity NPC178853
0.732 Intermediate Similarity NPC59170
0.732 Intermediate Similarity NPC82138
0.7308 Intermediate Similarity NPC471246
0.7308 Intermediate Similarity NPC469746
0.7308 Intermediate Similarity NPC470952
0.7308 Intermediate Similarity NPC203974
0.7308 Intermediate Similarity NPC471474
0.7303 Intermediate Similarity NPC80089
0.7303 Intermediate Similarity NPC34046
0.7303 Intermediate Similarity NPC171426
0.7303 Intermediate Similarity NPC324700
0.7303 Intermediate Similarity NPC224802
0.7303 Intermediate Similarity NPC478084
0.73 Intermediate Similarity NPC471038
0.73 Intermediate Similarity NPC474793
0.73 Intermediate Similarity NPC253995
0.7294 Intermediate Similarity NPC282454
0.7294 Intermediate Similarity NPC476731
0.7292 Intermediate Similarity NPC475211
0.7292 Intermediate Similarity NPC88337
0.7292 Intermediate Similarity NPC180849
0.7292 Intermediate Similarity NPC80401
0.729 Intermediate Similarity NPC473352
0.7283 Intermediate Similarity NPC292458
0.7283 Intermediate Similarity NPC268578
0.7283 Intermediate Similarity NPC217559
0.7282 Intermediate Similarity NPC327093

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC90676 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
0.7765 Intermediate Similarity NPD3703 Phase 2
0.7619 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD6116 Phase 1
0.75 Intermediate Similarity NPD4789 Approved
0.7471 Intermediate Similarity NPD6117 Approved
0.7317 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD6115 Approved
0.7303 Intermediate Similarity NPD6697 Approved
0.7303 Intermediate Similarity NPD6118 Approved
0.7303 Intermediate Similarity NPD6114 Approved
0.7241 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD3698 Phase 2
0.7159 Intermediate Similarity NPD3702 Approved
0.71 Intermediate Similarity NPD4697 Phase 3
0.7093 Intermediate Similarity NPD4245 Approved
0.7093 Intermediate Similarity NPD4244 Approved
0.7059 Intermediate Similarity NPD5360 Phase 3
0.7059 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD8034 Phase 2
0.7041 Intermediate Similarity NPD8035 Phase 2
0.703 Intermediate Similarity NPD4755 Approved
0.7011 Intermediate Similarity NPD6081 Approved
0.6952 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6931 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6931 Remote Similarity NPD5221 Approved
0.6931 Remote Similarity NPD5222 Approved
0.6923 Remote Similarity NPD3671 Phase 1
0.6893 Remote Similarity NPD4700 Approved
0.6893 Remote Similarity NPD4696 Approved
0.6893 Remote Similarity NPD5285 Approved
0.6893 Remote Similarity NPD5286 Approved
0.6887 Remote Similarity NPD6402 Approved
0.6887 Remote Similarity NPD5739 Approved
0.6887 Remote Similarity NPD6675 Approved
0.6887 Remote Similarity NPD7128 Approved
0.6863 Remote Similarity NPD5173 Approved
0.6852 Remote Similarity NPD6373 Approved
0.6852 Remote Similarity NPD6372 Approved
0.6837 Remote Similarity NPD5328 Approved
0.6827 Remote Similarity NPD5223 Approved
0.6822 Remote Similarity NPD5701 Approved
0.6822 Remote Similarity NPD5697 Approved
0.6818 Remote Similarity NPD4758 Discontinued
0.6771 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6762 Remote Similarity NPD5211 Phase 2
0.6762 Remote Similarity NPD5225 Approved
0.6762 Remote Similarity NPD5226 Approved
0.6762 Remote Similarity NPD5224 Approved
0.6762 Remote Similarity NPD4633 Approved
0.6759 Remote Similarity NPD7320 Approved
0.6759 Remote Similarity NPD6899 Approved
0.6759 Remote Similarity NPD6881 Approved
0.6759 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6011 Approved
0.6727 Remote Similarity NPD6649 Approved
0.6727 Remote Similarity NPD6650 Approved
0.6701 Remote Similarity NPD3618 Phase 1
0.67 Remote Similarity NPD6079 Approved
0.6698 Remote Similarity NPD5174 Approved
0.6698 Remote Similarity NPD5175 Approved
0.6698 Remote Similarity NPD4754 Approved
0.6697 Remote Similarity NPD6013 Approved
0.6697 Remote Similarity NPD6014 Approved
0.6697 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD1700 Approved
0.6636 Remote Similarity NPD7102 Approved
0.6636 Remote Similarity NPD5141 Approved
0.6636 Remote Similarity NPD4634 Approved
0.6636 Remote Similarity NPD7290 Approved
0.6636 Remote Similarity NPD6883 Approved
0.6634 Remote Similarity NPD6399 Phase 3
0.6629 Remote Similarity NPD5777 Approved
0.6628 Remote Similarity NPD4224 Phase 2
0.6591 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6577 Remote Similarity NPD8130 Phase 1
0.6577 Remote Similarity NPD6847 Approved
0.6577 Remote Similarity NPD6869 Approved
0.6577 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6617 Approved
0.6574 Remote Similarity NPD4767 Approved
0.6574 Remote Similarity NPD6920 Discontinued
0.6574 Remote Similarity NPD4768 Approved
0.6559 Remote Similarity NPD5364 Discontinued
0.6518 Remote Similarity NPD6882 Approved
0.6518 Remote Similarity NPD8297 Approved
0.6505 Remote Similarity NPD4629 Approved
0.6505 Remote Similarity NPD5210 Approved
0.6495 Remote Similarity NPD4786 Approved
0.6476 Remote Similarity NPD5696 Approved
0.6471 Remote Similarity NPD4202 Approved
0.6458 Remote Similarity NPD3667 Approved
0.6455 Remote Similarity NPD4730 Approved
0.6455 Remote Similarity NPD4729 Approved
0.6455 Remote Similarity NPD5128 Approved
0.6435 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6421 Remote Similarity NPD6928 Phase 2
0.641 Remote Similarity NPD6059 Approved
0.641 Remote Similarity NPD6054 Approved
0.641 Remote Similarity NPD6319 Approved
0.6364 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6356 Remote Similarity NPD6016 Approved
0.6356 Remote Similarity NPD6015 Approved
0.6348 Remote Similarity NPD6274 Approved
0.6339 Remote Similarity NPD5249 Phase 3
0.6339 Remote Similarity NPD5135 Approved
0.6339 Remote Similarity NPD5250 Approved
0.6339 Remote Similarity NPD5169 Approved
0.6339 Remote Similarity NPD5247 Approved
0.6339 Remote Similarity NPD5251 Approved
0.6339 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6339 Remote Similarity NPD5248 Approved
0.6337 Remote Similarity NPD4753 Phase 2
0.6316 Remote Similarity NPD4632 Approved
0.6306 Remote Similarity NPD5168 Approved
0.6303 Remote Similarity NPD6370 Approved
0.6303 Remote Similarity NPD5988 Approved
0.6293 Remote Similarity NPD6317 Approved
0.6283 Remote Similarity NPD5216 Approved
0.6283 Remote Similarity NPD5215 Approved
0.6283 Remote Similarity NPD5127 Approved
0.6283 Remote Similarity NPD5217 Approved
0.625 Remote Similarity NPD8328 Phase 3
0.6239 Remote Similarity NPD6313 Approved
0.6239 Remote Similarity NPD6314 Approved
0.6239 Remote Similarity NPD6335 Approved
0.6226 Remote Similarity NPD7902 Approved
0.6226 Remote Similarity NPD6083 Phase 2
0.6226 Remote Similarity NPD6084 Phase 2
0.6224 Remote Similarity NPD4788 Approved
0.6218 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6211 Remote Similarity NPD3617 Approved
0.6207 Remote Similarity NPD6868 Approved
0.62 Remote Similarity NPD5279 Phase 3
0.6198 Remote Similarity NPD7492 Approved
0.6186 Remote Similarity NPD7100 Approved
0.6186 Remote Similarity NPD7101 Approved
0.6179 Remote Similarity NPD7736 Approved
0.6162 Remote Similarity NPD3665 Phase 1
0.6162 Remote Similarity NPD3133 Approved
0.6162 Remote Similarity NPD3666 Approved
0.6154 Remote Similarity NPD6009 Approved
0.6154 Remote Similarity NPD4787 Phase 1
0.6154 Remote Similarity NPD7115 Discovery
0.6148 Remote Similarity NPD6616 Approved
0.6126 Remote Similarity NPD6008 Approved
0.6121 Remote Similarity NPD5167 Approved
0.6098 Remote Similarity NPD7078 Approved
0.6098 Remote Similarity NPD8293 Discontinued
0.6095 Remote Similarity NPD7748 Approved
0.6083 Remote Similarity NPD6921 Approved
0.6083 Remote Similarity NPD6909 Approved
0.6083 Remote Similarity NPD6908 Approved
0.6083 Remote Similarity NPD5983 Phase 2
0.6082 Remote Similarity NPD7525 Registered
0.6078 Remote Similarity NPD6672 Approved
0.6078 Remote Similarity NPD5737 Approved
0.6058 Remote Similarity NPD7515 Phase 2
0.6048 Remote Similarity NPD6033 Approved
0.6042 Remote Similarity NPD4238 Approved
0.6042 Remote Similarity NPD4802 Phase 2
0.6038 Remote Similarity NPD5695 Phase 3
0.6018 Remote Similarity NPD6415 Discontinued
0.6 Remote Similarity NPD4197 Approved
0.6 Remote Similarity NPD8171 Discontinued
0.6 Remote Similarity NPD3668 Phase 3
0.5984 Remote Similarity NPD7604 Phase 2
0.5965 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5963 Remote Similarity NPD8418 Phase 2
0.5943 Remote Similarity NPD7900 Approved
0.5943 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5941 Remote Similarity NPD5329 Approved
0.5929 Remote Similarity NPD6412 Phase 2
0.5905 Remote Similarity NPD6411 Approved
0.5897 Remote Similarity NPD8133 Approved
0.5887 Remote Similarity NPD6336 Discontinued
0.5873 Remote Similarity NPD7319 Approved
0.5872 Remote Similarity NPD7638 Approved
0.5859 Remote Similarity NPD1779 Approved
0.5859 Remote Similarity NPD1780 Approved
0.5825 Remote Similarity NPD3573 Approved
0.5818 Remote Similarity NPD7640 Approved
0.5818 Remote Similarity NPD7639 Approved
0.58 Remote Similarity NPD4223 Phase 3
0.58 Remote Similarity NPD4221 Approved
0.5798 Remote Similarity NPD6940 Discontinued
0.5769 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5761 Remote Similarity NPD229 Approved
0.576 Remote Similarity NPD7507 Approved
0.5752 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5752 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5743 Remote Similarity NPD3669 Approved
0.5743 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5741 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5728 Remote Similarity NPD7334 Approved
0.5728 Remote Similarity NPD7146 Approved
0.5728 Remote Similarity NPD5330 Approved
0.5728 Remote Similarity NPD6409 Approved

Structure

External Identifiers

PubChem CID   20056082
ChEMBL   CHEMBL463051
ZINC  

Physicochemical Properties

Molecular Weight:  362.17
ALogP:  -1.7212
MLogP:  3
XLogP:  -0.034
# Rotatable Bonds:  5
Polar Surface Area:  100.9
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  26

Download Data

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