Natural Product: NPC74995

Natural Product ID:  NPC74995
Common Name:   Laevinol E
IUPAC Name:   (1S,6S,8S,8aS)-1-acetyl-6-hydroxy-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
Synonyms:   Laevinol E
Molecular Formula:   C14H20O3
Standard InCHIKey:  FGCAXJRHYZZZEO-XBEUXYKBSA-N
Standard InCHI:  InChI=1S/C14H20O3/c1-8-6-11(16)7-10-4-5-12(17)13(9(2)15)14(8,10)3/h7-8,11,13,16H,4-6H2,1-3H3/t8-,11-,13-,14+/m0/s1
Canonical SMILES:  O[C@H]1C[C@H](C)[C@@]2(C(=C1)CCC(=O)[C@@H]2C(=O)C)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 23395633

  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 NPC74995 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
0.9459 High Similarity NPC308038
0.9459 High Similarity NPC152061
0.9333 High Similarity NPC148685
0.9333 High Similarity NPC104120
0.9333 High Similarity NPC157895
0.9315 High Similarity NPC263582
0.9091 High Similarity NPC93590
0.9067 High Similarity NPC62336
0.8974 High Similarity NPC105173
0.8831 High Similarity NPC172013
0.8816 High Similarity NPC297996
0.8816 High Similarity NPC475994
0.875 High Similarity NPC471224
0.875 High Similarity NPC274724
0.875 High Similarity NPC474083
0.8701 High Similarity NPC281138
0.8684 High Similarity NPC203403
0.8684 High Similarity NPC197659
0.8667 High Similarity NPC114236
0.8649 High Similarity NPC186042
0.8642 High Similarity NPC472985
0.8642 High Similarity NPC472986
0.8642 High Similarity NPC194417
0.8642 High Similarity NPC472974
0.8642 High Similarity NPC470955
0.8642 High Similarity NPC198761
0.8625 High Similarity NPC476412
0.859 High Similarity NPC306095
0.8571 High Similarity NPC239098
0.8553 High Similarity NPC470525
0.8519 High Similarity NPC476426
0.8519 High Similarity NPC52628
0.8481 Intermediate Similarity NPC14151
0.8462 Intermediate Similarity NPC7232
0.8462 Intermediate Similarity NPC19900
0.8442 Intermediate Similarity NPC266193
0.8442 Intermediate Similarity NPC257666
0.8442 Intermediate Similarity NPC325946
0.8442 Intermediate Similarity NPC97377
0.8415 Intermediate Similarity NPC473226
0.8415 Intermediate Similarity NPC469994
0.8415 Intermediate Similarity NPC322159
0.8415 Intermediate Similarity NPC82979
0.84 Intermediate Similarity NPC247586
0.8395 Intermediate Similarity NPC165064
0.8395 Intermediate Similarity NPC227132
0.8378 Intermediate Similarity NPC34834
0.8375 Intermediate Similarity NPC38796
0.8375 Intermediate Similarity NPC158411
0.8375 Intermediate Similarity NPC151519
0.8375 Intermediate Similarity NPC212083
0.8375 Intermediate Similarity NPC48362
0.8354 Intermediate Similarity NPC471514
0.8354 Intermediate Similarity NPC45495
0.8354 Intermediate Similarity NPC2482
0.8354 Intermediate Similarity NPC271104
0.8333 Intermediate Similarity NPC281524
0.8333 Intermediate Similarity NPC472983
0.8333 Intermediate Similarity NPC472973
0.8333 Intermediate Similarity NPC471409
0.8333 Intermediate Similarity NPC472971
0.8333 Intermediate Similarity NPC309603
0.8333 Intermediate Similarity NPC473999
0.8333 Intermediate Similarity NPC472970
0.8333 Intermediate Similarity NPC2983
0.8333 Intermediate Similarity NPC275494
0.8312 Intermediate Similarity NPC472305
0.8293 Intermediate Similarity NPC474853
0.8293 Intermediate Similarity NPC179006
0.8289 Intermediate Similarity NPC215050
0.8272 Intermediate Similarity NPC169941
0.8272 Intermediate Similarity NPC64600
0.8272 Intermediate Similarity NPC251475
0.825 Intermediate Similarity NPC121984
0.825 Intermediate Similarity NPC3915
0.825 Intermediate Similarity NPC6663
0.825 Intermediate Similarity NPC473420
0.8243 Intermediate Similarity NPC474248
0.8235 Intermediate Similarity NPC48010
0.8235 Intermediate Similarity NPC134321
0.8235 Intermediate Similarity NPC69622
0.8228 Intermediate Similarity NPC474113
0.8205 Intermediate Similarity NPC34110
0.8182 Intermediate Similarity NPC476795
0.8171 Intermediate Similarity NPC85774
0.8171 Intermediate Similarity NPC58841
0.8171 Intermediate Similarity NPC329043
0.8171 Intermediate Similarity NPC59453
0.8171 Intermediate Similarity NPC473246
0.8171 Intermediate Similarity NPC82902
0.8171 Intermediate Similarity NPC221758
0.8171 Intermediate Similarity NPC161423
0.8171 Intermediate Similarity NPC180834
0.8171 Intermediate Similarity NPC227064
0.8171 Intermediate Similarity NPC40687
0.8171 Intermediate Similarity NPC214043
0.8171 Intermediate Similarity NPC321187
0.8148 Intermediate Similarity NPC310989
0.8148 Intermediate Similarity NPC103486
0.814 Intermediate Similarity NPC116726
0.814 Intermediate Similarity NPC473998
0.814 Intermediate Similarity NPC475806
0.814 Intermediate Similarity NPC472978
0.8125 Intermediate Similarity NPC472301
0.8125 Intermediate Similarity NPC472478
0.8118 Intermediate Similarity NPC123912
0.8118 Intermediate Similarity NPC473100
0.8108 Intermediate Similarity NPC96484
0.8101 Intermediate Similarity NPC179028
0.8101 Intermediate Similarity NPC269543
0.8101 Intermediate Similarity NPC247783
0.8101 Intermediate Similarity NPC178852
0.8095 Intermediate Similarity NPC317590
0.8095 Intermediate Similarity NPC287079
0.8082 Intermediate Similarity NPC202017
0.8077 Intermediate Similarity NPC7629
0.8077 Intermediate Similarity NPC250621
0.8077 Intermediate Similarity NPC151622
0.8072 Intermediate Similarity NPC474218
0.8072 Intermediate Similarity NPC133954
0.8072 Intermediate Similarity NPC470574
0.8068 Intermediate Similarity NPC476245
0.8052 Intermediate Similarity NPC470299
0.8049 Intermediate Similarity NPC297398
0.8049 Intermediate Similarity NPC470948
0.8049 Intermediate Similarity NPC476082
0.8049 Intermediate Similarity NPC215893
0.8049 Intermediate Similarity NPC278648
0.8046 Intermediate Similarity NPC69454
0.8046 Intermediate Similarity NPC109305
0.8046 Intermediate Similarity NPC472930
0.8046 Intermediate Similarity NPC474736
0.8046 Intermediate Similarity NPC472942
0.8025 Intermediate Similarity NPC226068
0.8025 Intermediate Similarity NPC136150
0.8025 Intermediate Similarity NPC116797
0.8025 Intermediate Similarity NPC470298
0.8023 Intermediate Similarity NPC128672
0.8023 Intermediate Similarity NPC320026
0.8023 Intermediate Similarity NPC230332
0.8023 Intermediate Similarity NPC232202
0.8023 Intermediate Similarity NPC473099
0.8 Intermediate Similarity NPC474854
0.8 Intermediate Similarity NPC472490
0.8 Intermediate Similarity NPC104560
0.8 Intermediate Similarity NPC471560
0.7976 Intermediate Similarity NPC31564
0.7976 Intermediate Similarity NPC474733
0.7976 Intermediate Similarity NPC473168
0.7976 Intermediate Similarity NPC213412
0.7976 Intermediate Similarity NPC327115
0.7976 Intermediate Similarity NPC202394
0.7976 Intermediate Similarity NPC74363
0.7976 Intermediate Similarity NPC474732
0.7976 Intermediate Similarity NPC474778
0.7976 Intermediate Similarity NPC145879
0.7976 Intermediate Similarity NPC51014
0.7976 Intermediate Similarity NPC94666
0.7976 Intermediate Similarity NPC475862
0.7976 Intermediate Similarity NPC20688
0.7975 Intermediate Similarity NPC165711
0.7975 Intermediate Similarity NPC61952
0.7973 Intermediate Similarity NPC68703
0.7973 Intermediate Similarity NPC171225
0.7973 Intermediate Similarity NPC69649
0.7955 Intermediate Similarity NPC472977
0.7955 Intermediate Similarity NPC8993
0.7955 Intermediate Similarity NPC472976
0.7955 Intermediate Similarity NPC196227
0.7952 Intermediate Similarity NPC473157
0.7952 Intermediate Similarity NPC237712
0.7952 Intermediate Similarity NPC470812
0.7931 Intermediate Similarity NPC63748
0.7931 Intermediate Similarity NPC233116
0.7931 Intermediate Similarity NPC472975
0.7927 Intermediate Similarity NPC73882
0.7922 Intermediate Similarity NPC29542
0.7922 Intermediate Similarity NPC323437
0.7922 Intermediate Similarity NPC201562
0.7922 Intermediate Similarity NPC275098
0.7922 Intermediate Similarity NPC35656
0.7907 Intermediate Similarity NPC214387
0.7907 Intermediate Similarity NPC5509
0.7882 Intermediate Similarity NPC272039
0.7882 Intermediate Similarity NPC58063
0.7882 Intermediate Similarity NPC475740
0.7882 Intermediate Similarity NPC90652
0.7882 Intermediate Similarity NPC136548
0.7882 Intermediate Similarity NPC220930
0.7882 Intermediate Similarity NPC298904
0.7882 Intermediate Similarity NPC312561
0.7882 Intermediate Similarity NPC73064
0.7875 Intermediate Similarity NPC198240
0.7875 Intermediate Similarity NPC321514
0.7867 Intermediate Similarity NPC471238
0.7867 Intermediate Similarity NPC45264
0.7867 Intermediate Similarity NPC117804
0.7865 Intermediate Similarity NPC472932
0.7865 Intermediate Similarity NPC134067
0.7865 Intermediate Similarity NPC259286

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC74995 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
0.8375 Intermediate Similarity NPD3667 Approved
0.8171 Intermediate Similarity NPD3666 Approved
0.8171 Intermediate Similarity NPD4786 Approved
0.8171 Intermediate Similarity NPD3133 Approved
0.8171 Intermediate Similarity NPD3665 Phase 1
0.7976 Intermediate Similarity NPD3618 Phase 1
0.7976 Intermediate Similarity NPD5279 Phase 3
0.7765 Intermediate Similarity NPD4519 Discontinued
0.7765 Intermediate Similarity NPD4623 Approved
0.7701 Intermediate Similarity NPD5328 Approved
0.7683 Intermediate Similarity NPD4695 Discontinued
0.7529 Intermediate Similarity NPD3668 Phase 3
0.7528 Intermediate Similarity NPD6079 Approved
0.7528 Intermediate Similarity NPD7515 Phase 2
0.75 Intermediate Similarity NPD4753 Phase 2
0.75 Intermediate Similarity NPD4221 Approved
0.75 Intermediate Similarity NPD4223 Phase 3
0.7444 Intermediate Similarity NPD4202 Approved
0.7439 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD4197 Approved
0.7284 Intermediate Similarity NPD8264 Approved
0.7253 Intermediate Similarity NPD6399 Phase 3
0.7241 Intermediate Similarity NPD5329 Approved
0.7229 Intermediate Similarity NPD3617 Approved
0.7204 Intermediate Similarity NPD5221 Approved
0.7204 Intermediate Similarity NPD5222 Approved
0.7204 Intermediate Similarity NPD4697 Phase 3
0.7204 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD5211 Phase 2
0.7174 Intermediate Similarity NPD7748 Approved
0.7159 Intermediate Similarity NPD4694 Approved
0.7159 Intermediate Similarity NPD7146 Approved
0.7159 Intermediate Similarity NPD7521 Approved
0.7159 Intermediate Similarity NPD5280 Approved
0.7159 Intermediate Similarity NPD7334 Approved
0.7159 Intermediate Similarity NPD4693 Phase 3
0.7159 Intermediate Similarity NPD4690 Approved
0.7159 Intermediate Similarity NPD4138 Approved
0.7159 Intermediate Similarity NPD5205 Approved
0.7159 Intermediate Similarity NPD4688 Approved
0.7159 Intermediate Similarity NPD4689 Approved
0.7159 Intermediate Similarity NPD5690 Phase 2
0.7159 Intermediate Similarity NPD6409 Approved
0.7159 Intermediate Similarity NPD6684 Approved
0.7159 Intermediate Similarity NPD5330 Approved
0.7128 Intermediate Similarity NPD5173 Approved
0.7128 Intermediate Similarity NPD4755 Approved
0.7097 Intermediate Similarity NPD4629 Approved
0.7097 Intermediate Similarity NPD5210 Approved
0.7093 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6942 Approved
0.7073 Intermediate Similarity NPD7339 Approved
0.7067 Intermediate Similarity NPD368 Approved
0.7065 Intermediate Similarity NPD5779 Approved
0.7065 Intermediate Similarity NPD5778 Approved
0.7045 Intermediate Similarity NPD1696 Phase 3
0.7045 Intermediate Similarity NPD1694 Approved
0.7041 Intermediate Similarity NPD5141 Approved
0.7011 Intermediate Similarity NPD4788 Approved
0.7 Intermediate Similarity NPD6903 Approved
0.7 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.6979 Remote Similarity NPD5286 Approved
0.6979 Remote Similarity NPD4700 Approved
0.6979 Remote Similarity NPD4696 Approved
0.6979 Remote Similarity NPD5285 Approved
0.6977 Remote Similarity NPD4692 Approved
0.6977 Remote Similarity NPD4139 Approved
0.6966 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6411 Approved
0.6951 Remote Similarity NPD6926 Approved
0.6951 Remote Similarity NPD6924 Approved
0.6947 Remote Similarity NPD6084 Phase 2
0.6947 Remote Similarity NPD6083 Phase 2
0.6947 Remote Similarity NPD7902 Approved
0.6944 Remote Similarity NPD342 Phase 1
0.6941 Remote Similarity NPD6929 Approved
0.6941 Remote Similarity NPD7645 Phase 2
0.6923 Remote Similarity NPD7331 Phase 2
0.6915 Remote Similarity NPD5695 Phase 3
0.6907 Remote Similarity NPD5223 Approved
0.6897 Remote Similarity NPD4270 Approved
0.6897 Remote Similarity NPD4269 Approved
0.6889 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4137 Phase 3
0.686 Remote Similarity NPD6931 Approved
0.686 Remote Similarity NPD8259 Clinical (unspecified phase)
0.686 Remote Similarity NPD6930 Phase 2
0.6854 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6848 Remote Similarity NPD4096 Approved
0.6837 Remote Similarity NPD5226 Approved
0.6837 Remote Similarity NPD4633 Approved
0.6837 Remote Similarity NPD5224 Approved
0.6837 Remote Similarity NPD5225 Approved
0.6824 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5362 Discontinued
0.6813 Remote Similarity NPD6672 Approved
0.6813 Remote Similarity NPD5737 Approved
0.6804 Remote Similarity NPD7640 Approved
0.6804 Remote Similarity NPD7639 Approved
0.6795 Remote Similarity NPD7341 Phase 2
0.6795 Remote Similarity NPD3171 Clinical (unspecified phase)
0.679 Remote Similarity NPD4691 Approved
0.679 Remote Similarity NPD4747 Approved
0.6786 Remote Similarity NPD6933 Approved
0.6774 Remote Similarity NPD5281 Approved
0.6774 Remote Similarity NPD5284 Approved
0.6768 Remote Similarity NPD5174 Approved
0.6768 Remote Similarity NPD4754 Approved
0.6768 Remote Similarity NPD5175 Approved
0.675 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6744 Remote Similarity NPD4195 Approved
0.6739 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6101 Approved
0.6739 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6707 Remote Similarity NPD5276 Approved
0.6706 Remote Similarity NPD6925 Approved
0.6706 Remote Similarity NPD5776 Phase 2
0.6701 Remote Similarity NPD4225 Approved
0.6701 Remote Similarity NPD5696 Approved
0.6701 Remote Similarity NPD7638 Approved
0.6667 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6923 Approved
0.6667 Remote Similarity NPD4252 Approved
0.6667 Remote Similarity NPD5363 Approved
0.6667 Remote Similarity NPD7525 Registered
0.6667 Remote Similarity NPD8039 Approved
0.6667 Remote Similarity NPD7514 Phase 3
0.6667 Remote Similarity NPD7332 Phase 2
0.6667 Remote Similarity NPD5785 Approved
0.6667 Remote Similarity NPD3698 Phase 2
0.6667 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6922 Approved
0.6634 Remote Similarity NPD4768 Approved
0.6634 Remote Similarity NPD6675 Approved
0.6634 Remote Similarity NPD6402 Approved
0.6634 Remote Similarity NPD7128 Approved
0.6634 Remote Similarity NPD5739 Approved
0.6634 Remote Similarity NPD4767 Approved
0.6632 Remote Similarity NPD7900 Approved
0.6632 Remote Similarity NPD7901 Clinical (unspecified phase)
0.663 Remote Similarity NPD4518 Approved
0.6629 Remote Similarity NPD6695 Phase 3
0.6629 Remote Similarity NPD7154 Phase 3
0.6628 Remote Similarity NPD7145 Approved
0.6596 Remote Similarity NPD7637 Suspended
0.6593 Remote Similarity NPD6098 Approved
0.6593 Remote Similarity NPD5786 Approved
0.6591 Remote Similarity NPD6902 Approved
0.6585 Remote Similarity NPD7143 Approved
0.6585 Remote Similarity NPD4244 Approved
0.6585 Remote Similarity NPD4245 Approved
0.6585 Remote Similarity NPD7144 Approved
0.6569 Remote Similarity NPD5701 Approved
0.6569 Remote Similarity NPD6412 Phase 2
0.6569 Remote Similarity NPD5697 Approved
0.6556 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6548 Remote Similarity NPD4687 Approved
0.6548 Remote Similarity NPD4058 Approved
0.6548 Remote Similarity NPD5733 Approved
0.6526 Remote Similarity NPD5133 Approved
0.6522 Remote Similarity NPD3573 Approved
0.6506 Remote Similarity NPD7151 Approved
0.6506 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6506 Remote Similarity NPD7150 Approved
0.6506 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6506 Remote Similarity NPD4243 Approved
0.6506 Remote Similarity NPD7152 Approved
0.6505 Remote Similarity NPD6011 Approved
0.6505 Remote Similarity NPD5168 Approved
0.6505 Remote Similarity NPD4729 Approved
0.6505 Remote Similarity NPD4730 Approved
0.6505 Remote Similarity NPD6881 Approved
0.6505 Remote Similarity NPD5128 Approved
0.6505 Remote Similarity NPD6899 Approved
0.6505 Remote Similarity NPD7320 Approved
0.6505 Remote Similarity NPD6686 Approved
0.6484 Remote Similarity NPD6893 Approved
0.6481 Remote Similarity NPD7115 Discovery
0.6477 Remote Similarity NPD4819 Approved
0.6477 Remote Similarity NPD4820 Approved
0.6477 Remote Similarity NPD5368 Approved
0.6477 Remote Similarity NPD7509 Discontinued
0.6477 Remote Similarity NPD4822 Approved
0.6477 Remote Similarity NPD4821 Approved
0.6465 Remote Similarity NPD6404 Discontinued
0.6452 Remote Similarity NPD5208 Approved
0.6447 Remote Similarity NPD287 Approved
0.6444 Remote Similarity NPD5332 Approved
0.6444 Remote Similarity NPD5331 Approved
0.6442 Remote Similarity NPD6373 Approved
0.6442 Remote Similarity NPD6014 Approved
0.6442 Remote Similarity NPD6372 Approved
0.6442 Remote Similarity NPD6013 Approved
0.6442 Remote Similarity NPD6012 Approved
0.6437 Remote Similarity NPD4268 Approved
0.6437 Remote Similarity NPD4271 Approved
0.6421 Remote Similarity NPD5693 Phase 1
0.6404 Remote Similarity NPD4790 Discontinued
0.6404 Remote Similarity NPD6898 Phase 1

Structure

External Identifiers

PubChem CID   11528800
ChEMBL   CHEMBL463356
ZINC  

Physicochemical Properties

Molecular Weight:  236.14
ALogP:  -0.1425
MLogP:  2.67
XLogP:  0.191
# Rotatable Bonds:  5
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# 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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