Natural Product: NPC474215

Natural Product ID:  NPC474215
Common Name:   Laevinol G
IUPAC Name:   1-[(1aS,2R,4S,4aS,5R,6R,8aR)-2,6-dihydroxy-4,4a-dimethyl-1a,2,3,4,5,6,7,8-octahydronaphtho[4a,5-b]oxiren-5-yl]ethanone
Synonyms:   Laevinol G
Molecular Formula:   C14H22O4
Standard InCHIKey:  QBZBEMFNBTTWIR-ZXEVPWHLSA-N
Standard InCHI:  InChI=1S/C14H22O4/c1-7-6-10(17)12-14(18-12)5-4-9(16)11(8(2)15)13(7,14)3/h7,9-12,16-17H,4-6H2,1-3H3/t7-,9+,10+,11-,12-,13-,14-/m0/s1
Canonical SMILES:  O[C@@H]1C[C@H](C)[C@@]2([C@@]3([C@H]1O3)CC[C@H]([C@@H]2C(=O)C)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
NPO6460 Lemnalia laevis Species Nephtheidae Eukaryota PMID[16378367]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus ED50 > 5 ug/ml 23972215
NPT139 Cell Line HT-29 Homo sapiens ED50 > 5 ug/ml 17315926

  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 NPC474215 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
1.0 High Similarity NPC475729
0.9383 High Similarity NPC227170
0.9 High Similarity NPC475725
0.8876 High Similarity NPC17336
0.881 High Similarity NPC475689
0.8778 High Similarity NPC477264
0.8621 High Similarity NPC477614
0.8621 High Similarity NPC226491
0.8409 Intermediate Similarity NPC476379
0.8214 Intermediate Similarity NPC275243
0.8125 Intermediate Similarity NPC471254
0.809 Intermediate Similarity NPC263802
0.8068 Intermediate Similarity NPC473350
0.8 Intermediate Similarity NPC253995
0.8 Intermediate Similarity NPC471221
0.8 Intermediate Similarity NPC476435
0.7979 Intermediate Similarity NPC163685
0.7979 Intermediate Similarity NPC235109
0.7955 Intermediate Similarity NPC477434
0.7935 Intermediate Similarity NPC216137
0.7912 Intermediate Similarity NPC61688
0.7912 Intermediate Similarity NPC477443
0.7912 Intermediate Similarity NPC477440
0.7895 Intermediate Similarity NPC111187
0.7895 Intermediate Similarity NPC190080
0.7882 Intermediate Similarity NPC478084
0.7872 Intermediate Similarity NPC82633
0.7865 Intermediate Similarity NPC477205
0.7857 Intermediate Similarity NPC471253
0.7841 Intermediate Similarity NPC15091
0.7835 Intermediate Similarity NPC298266
0.7835 Intermediate Similarity NPC259654
0.7831 Intermediate Similarity NPC470151
0.7826 Intermediate Similarity NPC477442
0.7826 Intermediate Similarity NPC477433
0.7826 Intermediate Similarity NPC477444
0.7778 Intermediate Similarity NPC83242
0.7766 Intermediate Similarity NPC477495
0.7753 Intermediate Similarity NPC50438
0.7723 Intermediate Similarity NPC289702
0.7723 Intermediate Similarity NPC208461
0.7692 Intermediate Similarity NPC202937
0.7692 Intermediate Similarity NPC477266
0.7692 Intermediate Similarity NPC470920
0.7677 Intermediate Similarity NPC473406
0.7677 Intermediate Similarity NPC34562
0.7667 Intermediate Similarity NPC478111
0.764 Intermediate Similarity NPC269684
0.7629 Intermediate Similarity NPC476294
0.7614 Intermediate Similarity NPC475743
0.7614 Intermediate Similarity NPC470156
0.7604 Intermediate Similarity NPC116683
0.76 Intermediate Similarity NPC283850
0.76 Intermediate Similarity NPC470167
0.7582 Intermediate Similarity NPC80700
0.7582 Intermediate Similarity NPC476717
0.7579 Intermediate Similarity NPC247877
0.7579 Intermediate Similarity NPC309127
0.7576 Intermediate Similarity NPC470172
0.7558 Intermediate Similarity NPC143250
0.7558 Intermediate Similarity NPC307865
0.7556 Intermediate Similarity NPC219535
0.7556 Intermediate Similarity NPC65133
0.7556 Intermediate Similarity NPC237938
0.7529 Intermediate Similarity NPC472950
0.7529 Intermediate Similarity NPC472952
0.7528 Intermediate Similarity NPC477446
0.7528 Intermediate Similarity NPC470155
0.7528 Intermediate Similarity NPC477447
0.7527 Intermediate Similarity NPC471459
0.7527 Intermediate Similarity NPC67653
0.7527 Intermediate Similarity NPC24705
0.7527 Intermediate Similarity NPC56962
0.7525 Intermediate Similarity NPC470587
0.75 Intermediate Similarity NPC107385
0.75 Intermediate Similarity NPC62407
0.75 Intermediate Similarity NPC186588
0.75 Intermediate Similarity NPC472951
0.75 Intermediate Similarity NPC72842
0.75 Intermediate Similarity NPC287354
0.75 Intermediate Similarity NPC239938
0.75 Intermediate Similarity NPC472943
0.7475 Intermediate Similarity NPC98225
0.7474 Intermediate Similarity NPC474379
0.7474 Intermediate Similarity NPC476189
0.7473 Intermediate Similarity NPC477445
0.7451 Intermediate Similarity NPC166993
0.7449 Intermediate Similarity NPC472144
0.7447 Intermediate Similarity NPC475211
0.7447 Intermediate Similarity NPC88337
0.7447 Intermediate Similarity NPC470114
0.7447 Intermediate Similarity NPC185529
0.7447 Intermediate Similarity NPC472146
0.7442 Intermediate Similarity NPC474020
0.7429 Intermediate Similarity NPC477492
0.7429 Intermediate Similarity NPC477489
0.7423 Intermediate Similarity NPC260223
0.7423 Intermediate Similarity NPC475785
0.7419 Intermediate Similarity NPC473319
0.7419 Intermediate Similarity NPC3032
0.7419 Intermediate Similarity NPC131104
0.7416 Intermediate Similarity NPC328639
0.7416 Intermediate Similarity NPC470154
0.7416 Intermediate Similarity NPC329490
0.7416 Intermediate Similarity NPC254123
0.7404 Intermediate Similarity NPC100908
0.7396 Intermediate Similarity NPC329713
0.7396 Intermediate Similarity NPC470424
0.7396 Intermediate Similarity NPC76136
0.7396 Intermediate Similarity NPC217567
0.7391 Intermediate Similarity NPC477441
0.7391 Intermediate Similarity NPC472745
0.7391 Intermediate Similarity NPC228593
0.7391 Intermediate Similarity NPC235196
0.7379 Intermediate Similarity NPC273155
0.7379 Intermediate Similarity NPC231278
0.7379 Intermediate Similarity NPC218123
0.7379 Intermediate Similarity NPC112895
0.7374 Intermediate Similarity NPC127408
0.7374 Intermediate Similarity NPC291785
0.7374 Intermediate Similarity NPC477656
0.7374 Intermediate Similarity NPC477655
0.7363 Intermediate Similarity NPC25037
0.7363 Intermediate Similarity NPC34984
0.7363 Intermediate Similarity NPC291310
0.7353 Intermediate Similarity NPC307660
0.7353 Intermediate Similarity NPC130511
0.7353 Intermediate Similarity NPC138908
0.7353 Intermediate Similarity NPC200957
0.7347 Intermediate Similarity NPC266417
0.7347 Intermediate Similarity NPC472145
0.7347 Intermediate Similarity NPC170978
0.7347 Intermediate Similarity NPC20078
0.7347 Intermediate Similarity NPC473574
0.7347 Intermediate Similarity NPC471241
0.734 Intermediate Similarity NPC200580
0.7333 Intermediate Similarity NPC157476
0.7333 Intermediate Similarity NPC474229
0.7327 Intermediate Similarity NPC277074
0.7327 Intermediate Similarity NPC209298
0.7327 Intermediate Similarity NPC99510
0.732 Intermediate Similarity NPC41070
0.7317 Intermediate Similarity NPC472984
0.7308 Intermediate Similarity NPC118721
0.7308 Intermediate Similarity NPC252679
0.7303 Intermediate Similarity NPC16449
0.7303 Intermediate Similarity NPC134227
0.7303 Intermediate Similarity NPC125366
0.73 Intermediate Similarity NPC475958
0.73 Intermediate Similarity NPC181645
0.73 Intermediate Similarity NPC178853
0.7292 Intermediate Similarity NPC475307
0.729 Intermediate Similarity NPC470116
0.729 Intermediate Similarity NPC470115
0.7283 Intermediate Similarity NPC131350
0.7283 Intermediate Similarity NPC476715
0.7282 Intermediate Similarity NPC473165
0.7255 Intermediate Similarity NPC301787
0.7255 Intermediate Similarity NPC65523
0.7253 Intermediate Similarity NPC292458
0.7253 Intermediate Similarity NPC268578
0.7253 Intermediate Similarity NPC217559
0.7245 Intermediate Similarity NPC256227
0.7245 Intermediate Similarity NPC475765
0.7245 Intermediate Similarity NPC193785
0.7245 Intermediate Similarity NPC91439
0.7238 Intermediate Similarity NPC85391
0.7234 Intermediate Similarity NPC236459
0.7234 Intermediate Similarity NPC163296
0.7228 Intermediate Similarity NPC80640
0.7216 Intermediate Similarity NPC470423
0.7212 Intermediate Similarity NPC55973
0.7212 Intermediate Similarity NPC471094
0.7212 Intermediate Similarity NPC473410
0.7212 Intermediate Similarity NPC189663
0.7212 Intermediate Similarity NPC63841
0.7212 Intermediate Similarity NPC89860
0.7212 Intermediate Similarity NPC469984
0.7207 Intermediate Similarity NPC477046
0.7207 Intermediate Similarity NPC102822
0.7204 Intermediate Similarity NPC476727
0.7204 Intermediate Similarity NPC476726
0.7204 Intermediate Similarity NPC302111
0.7204 Intermediate Similarity NPC120395
0.7204 Intermediate Similarity NPC248216
0.72 Intermediate Similarity NPC80417
0.72 Intermediate Similarity NPC470388
0.7196 Intermediate Similarity NPC97002
0.7196 Intermediate Similarity NPC7921
0.7196 Intermediate Similarity NPC208998
0.7184 Intermediate Similarity NPC222833
0.7174 Intermediate Similarity NPC471044
0.7174 Intermediate Similarity NPC473299
0.7174 Intermediate Similarity NPC473336
0.7174 Intermediate Similarity NPC79308
0.7172 Intermediate Similarity NPC272451
0.7172 Intermediate Similarity NPC236176
0.717 Intermediate Similarity NPC94650
0.717 Intermediate Similarity NPC29505
0.717 Intermediate Similarity NPC473062

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474215 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
0.7723 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7653 Intermediate Similarity NPD1700 Approved
0.7126 Intermediate Similarity NPD3703 Phase 2
0.6981 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6951 Remote Similarity NPD371 Approved
0.6903 Remote Similarity NPD6921 Approved
0.6759 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6604 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6552 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6552 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6115 Approved
0.6522 Remote Similarity NPD6118 Approved
0.6522 Remote Similarity NPD6114 Approved
0.6522 Remote Similarity NPD6697 Approved
0.6514 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6481 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6477 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6413 Remote Similarity NPD6116 Phase 1
0.6404 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6404 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6404 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6379 Remote Similarity NPD6319 Approved
0.6316 Remote Similarity NPD1779 Approved
0.6316 Remote Similarity NPD1780 Approved
0.6306 Remote Similarity NPD4634 Approved
0.6304 Remote Similarity NPD6117 Approved
0.6279 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6059 Approved
0.6239 Remote Similarity NPD6054 Approved
0.6218 Remote Similarity NPD8328 Phase 3
0.6186 Remote Similarity NPD6015 Approved
0.6186 Remote Similarity NPD6016 Approved
0.618 Remote Similarity NPD4267 Clinical (unspecified phase)
0.618 Remote Similarity NPD3698 Phase 2
0.614 Remote Similarity NPD4632 Approved
0.6134 Remote Similarity NPD6370 Approved
0.6134 Remote Similarity NPD5988 Approved
0.6121 Remote Similarity NPD7115 Discovery
0.6111 Remote Similarity NPD4245 Approved
0.6111 Remote Similarity NPD4244 Approved
0.6091 Remote Similarity NPD6008 Approved
0.6087 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6067 Remote Similarity NPD5360 Phase 3
0.6067 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6038 Remote Similarity NPD4755 Approved
0.6033 Remote Similarity NPD7492 Approved
0.6022 Remote Similarity NPD3702 Approved
0.602 Remote Similarity NPD3669 Approved
0.602 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6 Remote Similarity NPD3671 Phase 1
0.5984 Remote Similarity NPD6616 Approved
0.5981 Remote Similarity NPD4225 Approved
0.5968 Remote Similarity NPD7319 Approved
0.5963 Remote Similarity NPD8084 Approved
0.5963 Remote Similarity NPD8138 Approved
0.5963 Remote Similarity NPD8086 Approved
0.5963 Remote Similarity NPD8082 Approved
0.5963 Remote Similarity NPD8139 Approved
0.5963 Remote Similarity NPD8085 Approved
0.5963 Remote Similarity NPD8083 Approved
0.5946 Remote Similarity NPD6402 Approved
0.5946 Remote Similarity NPD6675 Approved
0.5946 Remote Similarity NPD5739 Approved
0.5946 Remote Similarity NPD7128 Approved
0.5935 Remote Similarity NPD8293 Discontinued
0.5935 Remote Similarity NPD7078 Approved
0.5934 Remote Similarity NPD4789 Approved
0.5929 Remote Similarity NPD6372 Approved
0.5929 Remote Similarity NPD6373 Approved
0.5926 Remote Similarity NPD5285 Approved
0.5926 Remote Similarity NPD4700 Approved
0.5926 Remote Similarity NPD5286 Approved
0.5926 Remote Similarity NPD4696 Approved
0.5914 Remote Similarity NPD1811 Approved
0.5914 Remote Similarity NPD1810 Approved
0.5913 Remote Similarity NPD8297 Approved
0.5909 Remote Similarity NPD8276 Approved
0.5909 Remote Similarity NPD8275 Approved
0.5893 Remote Similarity NPD5697 Approved
0.5893 Remote Similarity NPD6412 Phase 2
0.5893 Remote Similarity NPD5701 Approved
0.5889 Remote Similarity NPD229 Approved
0.5887 Remote Similarity NPD7736 Approved
0.5872 Remote Similarity NPD5344 Discontinued
0.587 Remote Similarity NPD4758 Discontinued
0.5865 Remote Similarity NPD8035 Phase 2
0.5865 Remote Similarity NPD8034 Phase 2
0.5862 Remote Similarity NPD8133 Approved
0.5856 Remote Similarity NPD8081 Approved
0.5856 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5856 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5847 Remote Similarity NPD6009 Approved
0.5842 Remote Similarity NPD3618 Phase 1
0.5841 Remote Similarity NPD6899 Approved
0.5841 Remote Similarity NPD6881 Approved
0.5841 Remote Similarity NPD7320 Approved
0.5826 Remote Similarity NPD6650 Approved
0.5826 Remote Similarity NPD6649 Approved
0.5825 Remote Similarity NPD5328 Approved
0.582 Remote Similarity NPD7604 Phase 2
0.5818 Remote Similarity NPD5224 Approved
0.5818 Remote Similarity NPD5211 Phase 2
0.5818 Remote Similarity NPD5225 Approved
0.5818 Remote Similarity NPD5226 Approved
0.5818 Remote Similarity NPD4633 Approved
0.5804 Remote Similarity NPD8393 Approved
0.5794 Remote Similarity NPD4697 Phase 3
0.5789 Remote Similarity NPD6013 Approved
0.5789 Remote Similarity NPD6014 Approved
0.5789 Remote Similarity NPD6012 Approved
0.5785 Remote Similarity NPD5983 Phase 2
0.5766 Remote Similarity NPD5175 Approved
0.5766 Remote Similarity NPD5174 Approved
0.576 Remote Similarity NPD6033 Approved
0.5755 Remote Similarity NPD5282 Discontinued
0.5741 Remote Similarity NPD7902 Approved
0.5739 Remote Similarity NPD6883 Approved
0.5739 Remote Similarity NPD7290 Approved
0.5739 Remote Similarity NPD7102 Approved
0.5727 Remote Similarity NPD5223 Approved
0.5726 Remote Similarity NPD7507 Approved
0.5714 Remote Similarity NPD6411 Approved
0.5714 Remote Similarity NPD5141 Approved
0.5714 Remote Similarity NPD6079 Approved
0.5702 Remote Similarity NPD6686 Approved
0.5702 Remote Similarity NPD6011 Approved
0.5699 Remote Similarity NPD5777 Approved
0.569 Remote Similarity NPD8130 Phase 1
0.569 Remote Similarity NPD6869 Approved
0.569 Remote Similarity NPD6847 Approved
0.569 Remote Similarity NPD6617 Approved
0.5686 Remote Similarity NPD3574 Clinical (unspecified phase)
0.567 Remote Similarity NPD4238 Approved
0.567 Remote Similarity NPD5364 Discontinued
0.567 Remote Similarity NPD4802 Phase 2
0.5667 Remote Similarity NPD4224 Phase 2
0.5664 Remote Similarity NPD4768 Approved
0.5664 Remote Similarity NPD4767 Approved
0.566 Remote Similarity NPD8171 Discontinued
0.566 Remote Similarity NPD4202 Approved
0.566 Remote Similarity NPD5778 Approved
0.566 Remote Similarity NPD6399 Phase 3
0.566 Remote Similarity NPD5779 Approved
0.5648 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5648 Remote Similarity NPD5221 Approved
0.5648 Remote Similarity NPD5222 Approved
0.5641 Remote Similarity NPD6882 Approved
0.5631 Remote Similarity NPD7524 Approved
0.563 Remote Similarity NPD6940 Discontinued
0.5625 Remote Similarity NPD4754 Approved
0.5619 Remote Similarity NPD3168 Discontinued
0.5618 Remote Similarity NPD7909 Approved
0.5607 Remote Similarity NPD7748 Approved
0.5603 Remote Similarity NPD6371 Approved
0.56 Remote Similarity NPD6336 Discontinued
0.56 Remote Similarity NPD3667 Approved

Structure

External Identifiers

PubChem CID   5326389
ChEMBL   CHEMBL463557
ZINC  

Physicochemical Properties

Molecular Weight:  254.15
ALogP:  -1.2806
MLogP:  2.56
XLogP:  0.785
# Rotatable Bonds:  6
Polar Surface Area:  70.06
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

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Structure MOL file  
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Biological Activities  
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