Natural Product: NPC475725

Natural Product ID:  NPC475725
Common Name:   Laevinol H
IUPAC Name:   1-[(1aS,4S,4aS,5R,6R,8aR)-6-hydroxy-4,4a-dimethyl-1a,2,3,4,5,6,7,8-octahydronaphtho[4a,5-b]oxiren-5-yl]ethanone
Synonyms:   Laevinol H
Molecular Formula:   C14H22O3
Standard InCHIKey:  RAAOQGUCUAQLHJ-YNGKBFMNSA-N
Standard InCHI:  InChI=1S/C14H22O3/c1-8-4-5-11-14(17-11)7-6-10(16)12(9(2)15)13(8,14)3/h8,10-12,16H,4-7H2,1-3H3/t8-,10+,11-,12-,13-,14-/m0/s1
Canonical SMILES:  O[C@@H]1CC[C@]23[C@@]([C@H]1C(=O)C)(C)[C@@H](C)CC[C@@H]3O2
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 23805995
NPT139 Cell Line HT-29 Homo sapiens ED50 > 5 ug/ml 3572427

  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 NPC475725 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
0.9 High Similarity NPC474215
0.9 High Similarity NPC475729
0.8987 High Similarity NPC475689
0.8831 High Similarity NPC275243
0.8554 High Similarity NPC477614
0.8554 High Similarity NPC226491
0.8395 Intermediate Similarity NPC227170
0.8108 Intermediate Similarity NPC472984
0.809 Intermediate Similarity NPC477264
0.8072 Intermediate Similarity NPC477434
0.8023 Intermediate Similarity NPC477440
0.8023 Intermediate Similarity NPC477443
0.7978 Intermediate Similarity NPC17336
0.7976 Intermediate Similarity NPC473350
0.7931 Intermediate Similarity NPC477442
0.7931 Intermediate Similarity NPC477433
0.7931 Intermediate Similarity NPC477444
0.7875 Intermediate Similarity NPC307865
0.7875 Intermediate Similarity NPC143250
0.7857 Intermediate Similarity NPC237938
0.7857 Intermediate Similarity NPC219535
0.7857 Intermediate Similarity NPC50438
0.7848 Intermediate Similarity NPC159789
0.7816 Intermediate Similarity NPC67653
0.7816 Intermediate Similarity NPC471459
0.7816 Intermediate Similarity NPC61688
0.7802 Intermediate Similarity NPC190080
0.7802 Intermediate Similarity NPC111187
0.7778 Intermediate Similarity NPC478084
0.7765 Intermediate Similarity NPC477205
0.775 Intermediate Similarity NPC474020
0.7738 Intermediate Similarity NPC15091
0.7711 Intermediate Similarity NPC50658
0.7701 Intermediate Similarity NPC473319
0.7701 Intermediate Similarity NPC471221
0.7701 Intermediate Similarity NPC131104
0.7701 Intermediate Similarity NPC3032
0.7674 Intermediate Similarity NPC248216
0.7674 Intermediate Similarity NPC120395
0.7674 Intermediate Similarity NPC83242
0.7647 Intermediate Similarity NPC34984
0.7647 Intermediate Similarity NPC25037
0.7614 Intermediate Similarity NPC200580
0.759 Intermediate Similarity NPC125366
0.759 Intermediate Similarity NPC134227
0.7586 Intermediate Similarity NPC263802
0.7556 Intermediate Similarity NPC476189
0.7531 Intermediate Similarity NPC472487
0.7531 Intermediate Similarity NPC472486
0.7529 Intermediate Similarity NPC472847
0.7528 Intermediate Similarity NPC475211
0.7528 Intermediate Similarity NPC88337
0.7527 Intermediate Similarity NPC476294
0.75 Intermediate Similarity NPC236459
0.75 Intermediate Similarity NPC475743
0.75 Intermediate Similarity NPC254123
0.75 Intermediate Similarity NPC476379
0.75 Intermediate Similarity NPC90676
0.7471 Intermediate Similarity NPC477441
0.7471 Intermediate Similarity NPC80700
0.7468 Intermediate Similarity NPC89310
0.7442 Intermediate Similarity NPC471044
0.7442 Intermediate Similarity NPC473336
0.7439 Intermediate Similarity NPC475031
0.7407 Intermediate Similarity NPC35871
0.7407 Intermediate Similarity NPC125767
0.7407 Intermediate Similarity NPC21220
0.7407 Intermediate Similarity NPC68565
0.7391 Intermediate Similarity NPC62407
0.7391 Intermediate Similarity NPC287354
0.7386 Intermediate Similarity NPC202937
0.7386 Intermediate Similarity NPC470920
0.7381 Intermediate Similarity NPC477851
0.7375 Intermediate Similarity NPC109510
0.7375 Intermediate Similarity NPC474755
0.7363 Intermediate Similarity NPC147272
0.7356 Intermediate Similarity NPC477445
0.7326 Intermediate Similarity NPC269684
0.7312 Intermediate Similarity NPC163685
0.7312 Intermediate Similarity NPC235109
0.7312 Intermediate Similarity NPC193785
0.7308 Intermediate Similarity NPC474954
0.7303 Intermediate Similarity NPC163296
0.7294 Intermediate Similarity NPC469745
0.7294 Intermediate Similarity NPC476071
0.7292 Intermediate Similarity NPC471254
0.7284 Intermediate Similarity NPC168511
0.7284 Intermediate Similarity NPC159325
0.7284 Intermediate Similarity NPC133922
0.7284 Intermediate Similarity NPC55508
0.7283 Intermediate Similarity NPC309127
0.7283 Intermediate Similarity NPC247877
0.7283 Intermediate Similarity NPC191094
0.7283 Intermediate Similarity NPC470424
0.7283 Intermediate Similarity NPC302008
0.7273 Intermediate Similarity NPC476727
0.7273 Intermediate Similarity NPC302111
0.7273 Intermediate Similarity NPC476717
0.7273 Intermediate Similarity NPC476726
0.7253 Intermediate Similarity NPC52756
0.7253 Intermediate Similarity NPC216137
0.7245 Intermediate Similarity NPC470587
0.7241 Intermediate Similarity NPC181871
0.7241 Intermediate Similarity NPC65133
0.7241 Intermediate Similarity NPC9060
0.7241 Intermediate Similarity NPC291310
0.7241 Intermediate Similarity NPC473299
0.7229 Intermediate Similarity NPC221420
0.7229 Intermediate Similarity NPC23884
0.7222 Intermediate Similarity NPC56962
0.7222 Intermediate Similarity NPC24705
0.7216 Intermediate Similarity NPC471253
0.7215 Intermediate Similarity NPC327728
0.7215 Intermediate Similarity NPC6120
0.7215 Intermediate Similarity NPC131892
0.7215 Intermediate Similarity NPC213178
0.7209 Intermediate Similarity NPC268040
0.7204 Intermediate Similarity NPC231060
0.7204 Intermediate Similarity NPC82633
0.7204 Intermediate Similarity NPC138245
0.7204 Intermediate Similarity NPC84018
0.7195 Intermediate Similarity NPC273366
0.7195 Intermediate Similarity NPC179858
0.7191 Intermediate Similarity NPC298904
0.7191 Intermediate Similarity NPC239938
0.7188 Intermediate Similarity NPC475958
0.7179 Intermediate Similarity NPC41542
0.7179 Intermediate Similarity NPC329466
0.7179 Intermediate Similarity NPC328304
0.7174 Intermediate Similarity NPC474379
0.716 Intermediate Similarity NPC81759
0.716 Intermediate Similarity NPC282905
0.716 Intermediate Similarity NPC477229
0.716 Intermediate Similarity NPC68426
0.716 Intermediate Similarity NPC232112
0.7159 Intermediate Similarity NPC474572
0.7158 Intermediate Similarity NPC253995
0.7158 Intermediate Similarity NPC471038
0.7143 Intermediate Similarity NPC77756
0.7143 Intermediate Similarity NPC472146
0.7143 Intermediate Similarity NPC476296
0.7143 Intermediate Similarity NPC80401
0.7143 Intermediate Similarity NPC185529
0.7126 Intermediate Similarity NPC217559
0.7126 Intermediate Similarity NPC327451
0.7126 Intermediate Similarity NPC292458
0.7126 Intermediate Similarity NPC268578
0.7111 Intermediate Similarity NPC476435
0.7108 Intermediate Similarity NPC108840
0.7108 Intermediate Similarity NPC475742
0.7108 Intermediate Similarity NPC78935
0.7108 Intermediate Similarity NPC5767
0.7097 Intermediate Similarity NPC477495
0.7097 Intermediate Similarity NPC103527
0.7093 Intermediate Similarity NPC48756
0.7093 Intermediate Similarity NPC58631
0.7093 Intermediate Similarity NPC328639
0.7093 Intermediate Similarity NPC280781
0.7093 Intermediate Similarity NPC329490
0.7083 Intermediate Similarity NPC471269
0.7079 Intermediate Similarity NPC472272
0.7073 Intermediate Similarity NPC317212
0.7065 Intermediate Similarity NPC476168
0.7065 Intermediate Similarity NPC475878
0.7065 Intermediate Similarity NPC474065
0.7059 Intermediate Similarity NPC201276
0.7059 Intermediate Similarity NPC320144
0.7059 Intermediate Similarity NPC80891
0.7053 Intermediate Similarity NPC136781
0.7045 Intermediate Similarity NPC105895
0.7045 Intermediate Similarity NPC97505
0.7045 Intermediate Similarity NPC319909
0.7045 Intermediate Similarity NPC474996
0.7041 Intermediate Similarity NPC473406
0.7041 Intermediate Similarity NPC87927
0.7041 Intermediate Similarity NPC34562
0.7037 Intermediate Similarity NPC247195
0.7037 Intermediate Similarity NPC151018
0.7037 Intermediate Similarity NPC58057
0.7037 Intermediate Similarity NPC320549
0.7037 Intermediate Similarity NPC156277
0.7037 Intermediate Similarity NPC473267
0.7021 Intermediate Similarity NPC41070
0.7021 Intermediate Similarity NPC98639
0.7021 Intermediate Similarity NPC90014
0.7021 Intermediate Similarity NPC470232
0.7011 Intermediate Similarity NPC61107
0.7011 Intermediate Similarity NPC317066
0.7011 Intermediate Similarity NPC289486
0.7011 Intermediate Similarity NPC271163
0.701 Intermediate Similarity NPC298266
0.701 Intermediate Similarity NPC14634
0.701 Intermediate Similarity NPC259654
0.701 Intermediate Similarity NPC46848
0.7 Intermediate Similarity NPC473165
0.7 Intermediate Similarity NPC259009
0.7 Intermediate Similarity NPC153604
0.6989 Remote Similarity NPC199543
0.6989 Remote Similarity NPC144739
0.6989 Remote Similarity NPC59170

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475725 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
0.7848 Intermediate Similarity NPD3703 Phase 2
0.7215 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD1700 Approved
0.6941 Remote Similarity NPD6114 Approved
0.6941 Remote Similarity NPD6115 Approved
0.6941 Remote Similarity NPD6697 Approved
0.6941 Remote Similarity NPD6118 Approved
0.6931 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6923 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6116 Phase 1
0.679 Remote Similarity NPD3698 Phase 2
0.6707 Remote Similarity NPD4244 Approved
0.6707 Remote Similarity NPD4245 Approved
0.6706 Remote Similarity NPD6117 Approved
0.6667 Remote Similarity NPD5360 Phase 3
0.6667 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6588 Remote Similarity NPD3702 Approved
0.6552 Remote Similarity NPD3671 Phase 1
0.6506 Remote Similarity NPD4789 Approved
0.6429 Remote Similarity NPD4758 Discontinued
0.6375 Remote Similarity NPD371 Approved
0.6344 Remote Similarity NPD3618 Phase 1
0.6316 Remote Similarity NPD5328 Approved
0.625 Remote Similarity NPD6008 Approved
0.6235 Remote Similarity NPD5777 Approved
0.6226 Remote Similarity NPD4061 Clinical (unspecified phase)
0.622 Remote Similarity NPD4224 Phase 2
0.62 Remote Similarity NPD4755 Approved
0.6195 Remote Similarity NPD6921 Approved
0.6186 Remote Similarity NPD8034 Phase 2
0.6186 Remote Similarity NPD8035 Phase 2
0.6186 Remote Similarity NPD6079 Approved
0.6168 Remote Similarity NPD4634 Approved
0.6168 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1780 Approved
0.6154 Remote Similarity NPD1779 Approved
0.6154 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6122 Remote Similarity NPD4202 Approved
0.61 Remote Similarity NPD4697 Phase 3
0.6095 Remote Similarity NPD5739 Approved
0.6095 Remote Similarity NPD6675 Approved
0.6095 Remote Similarity NPD6402 Approved
0.6095 Remote Similarity NPD7128 Approved
0.6087 Remote Similarity NPD3667 Approved
0.6078 Remote Similarity NPD5286 Approved
0.6078 Remote Similarity NPD4700 Approved
0.6078 Remote Similarity NPD4696 Approved
0.6078 Remote Similarity NPD5285 Approved
0.6075 Remote Similarity NPD6373 Approved
0.6075 Remote Similarity NPD6372 Approved
0.6071 Remote Similarity NPD229 Approved
0.6064 Remote Similarity NPD7520 Clinical (unspecified phase)
0.604 Remote Similarity NPD7902 Approved
0.6038 Remote Similarity NPD5701 Approved
0.6038 Remote Similarity NPD5697 Approved
0.6019 Remote Similarity NPD5223 Approved
0.6 Remote Similarity NPD4802 Phase 2
0.6 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6 Remote Similarity NPD5364 Discontinued
0.6 Remote Similarity NPD4238 Approved
0.6 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5982 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5981 Remote Similarity NPD6881 Approved
0.5981 Remote Similarity NPD6011 Approved
0.5981 Remote Similarity NPD6899 Approved
0.5981 Remote Similarity NPD7320 Approved
0.5965 Remote Similarity NPD6319 Approved
0.5965 Remote Similarity NPD6054 Approved
0.5965 Remote Similarity NPD6059 Approved
0.5963 Remote Similarity NPD6650 Approved
0.5963 Remote Similarity NPD6649 Approved
0.5962 Remote Similarity NPD5225 Approved
0.5962 Remote Similarity NPD4633 Approved
0.5962 Remote Similarity NPD5226 Approved
0.5962 Remote Similarity NPD5224 Approved
0.5962 Remote Similarity NPD5211 Phase 2
0.596 Remote Similarity NPD6399 Phase 3
0.5957 Remote Similarity NPD4786 Approved
0.5941 Remote Similarity NPD5222 Approved
0.5941 Remote Similarity NPD5221 Approved
0.5941 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6014 Approved
0.5926 Remote Similarity NPD6012 Approved
0.5926 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6013 Approved
0.5913 Remote Similarity NPD6015 Approved
0.5913 Remote Similarity NPD6016 Approved
0.5905 Remote Similarity NPD5174 Approved
0.5905 Remote Similarity NPD4754 Approved
0.5905 Remote Similarity NPD5175 Approved
0.59 Remote Similarity NPD7748 Approved
0.5888 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5882 Remote Similarity NPD5173 Approved
0.5872 Remote Similarity NPD6883 Approved
0.5872 Remote Similarity NPD7290 Approved
0.5872 Remote Similarity NPD7102 Approved
0.587 Remote Similarity NPD6928 Phase 2
0.5862 Remote Similarity NPD5988 Approved
0.5862 Remote Similarity NPD6370 Approved
0.5862 Remote Similarity NPD6081 Approved
0.5859 Remote Similarity NPD7515 Phase 2
0.5859 Remote Similarity NPD6411 Approved
0.5856 Remote Similarity NPD4632 Approved
0.5851 Remote Similarity NPD4788 Approved
0.5851 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5851 Remote Similarity NPD3669 Approved
0.5849 Remote Similarity NPD5141 Approved
0.5844 Remote Similarity NPD615 Clinical (unspecified phase)
0.5841 Remote Similarity NPD7115 Discovery
0.5818 Remote Similarity NPD6617 Approved
0.5818 Remote Similarity NPD6847 Approved
0.5818 Remote Similarity NPD6869 Approved
0.5818 Remote Similarity NPD8130 Phase 1
0.5818 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5812 Remote Similarity NPD8328 Phase 3
0.58 Remote Similarity NPD5778 Approved
0.58 Remote Similarity NPD5779 Approved
0.5794 Remote Similarity NPD4768 Approved
0.5794 Remote Similarity NPD4767 Approved
0.5789 Remote Similarity NPD3665 Phase 1
0.5789 Remote Similarity NPD3666 Approved
0.5789 Remote Similarity NPD3133 Approved
0.5773 Remote Similarity NPD3573 Approved
0.5766 Remote Similarity NPD6882 Approved
0.5766 Remote Similarity NPD8297 Approved
0.5763 Remote Similarity NPD7492 Approved
0.5753 Remote Similarity NPD384 Approved
0.5753 Remote Similarity NPD385 Approved
0.5747 Remote Similarity NPD4787 Phase 1
0.5743 Remote Similarity NPD7900 Approved
0.5743 Remote Similarity NPD5282 Discontinued
0.5743 Remote Similarity NPD7901 Clinical (unspecified phase)
0.573 Remote Similarity NPD1811 Approved
0.573 Remote Similarity NPD1810 Approved
0.5714 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6616 Approved
0.5702 Remote Similarity NPD6009 Approved
0.5688 Remote Similarity NPD5128 Approved
0.5688 Remote Similarity NPD4730 Approved
0.5688 Remote Similarity NPD4729 Approved
0.5678 Remote Similarity NPD7604 Phase 2
0.5673 Remote Similarity NPD4225 Approved
0.5673 Remote Similarity NPD7638 Approved
0.5667 Remote Similarity NPD8293 Discontinued
0.5667 Remote Similarity NPD7078 Approved
0.5657 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5657 Remote Similarity NPD6101 Approved
0.5641 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5641 Remote Similarity NPD5983 Phase 2
0.562 Remote Similarity NPD6033 Approved
0.562 Remote Similarity NPD7736 Approved
0.5619 Remote Similarity NPD7640 Approved
0.5619 Remote Similarity NPD7639 Approved
0.5619 Remote Similarity NPD8418 Phase 2
0.5616 Remote Similarity NPD388 Approved
0.5616 Remote Similarity NPD386 Approved
0.5614 Remote Similarity NPD6274 Approved

Structure

External Identifiers

PubChem CID   5326390
ChEMBL   CHEMBL512947
ZINC  

Physicochemical Properties

Molecular Weight:  238.16
ALogP:  -1.0579
MLogP:  2.67
XLogP:  1.815
# Rotatable Bonds:  5
Polar Surface Area:  49.83
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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