Natural Product: NPC475897

Natural Product ID:  NPC475897
Common Name:   Lemnalol
IUPAC Name:  
Synonyms:   Lemnalol
Molecular Formula:   C15H24O
Standard InCHIKey:  LPXOPRGPLUWGKB-VRPMWHRCSA-N
Standard InCHI:  InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)11-7-12(16)9(3)14(15)13(10)11/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11+,12+,13-,14-,15+/m0/s1
Canonical SMILES:  CC([C@@H]1CC[C@@]2([C@H]3[C@H]1[C@@H]2C(=C)[C@@H](C3)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
NPO25976 Dendronephthya gigantea Species Nephtheidae Eukaryota PMID[15497934]
NPO33357 lemnalia carvicorni Species Nephtheidae Eukaryota PMID[15497934]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus ED50 = 16.3 nM 23558238
NPT139 Cell Line HT-29 Homo sapiens ED50 = 10.5 nM 23558238

  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 NPC475897 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
0.9672 High Similarity NPC68656
0.9365 High Similarity NPC473929
0.9077 High Similarity NPC276616
0.9077 High Similarity NPC245795
0.8906 High Similarity NPC258595
0.875 High Similarity NPC101128
0.875 High Similarity NPC144650
0.8657 High Similarity NPC474248
0.8657 High Similarity NPC9942
0.8636 High Similarity NPC253303
0.8636 High Similarity NPC269077
0.8636 High Similarity NPC185874
0.8636 High Similarity NPC139207
0.8615 High Similarity NPC282619
0.8615 High Similarity NPC172613
0.8615 High Similarity NPC11555
0.8615 High Similarity NPC2728
0.8615 High Similarity NPC208198
0.8615 High Similarity NPC60837
0.8529 High Similarity NPC283316
0.8507 High Similarity NPC96484
0.8507 High Similarity NPC244790
0.8358 Intermediate Similarity NPC171225
0.831 Intermediate Similarity NPC144075
0.831 Intermediate Similarity NPC185536
0.8261 Intermediate Similarity NPC45296
0.8254 Intermediate Similarity NPC189290
0.8254 Intermediate Similarity NPC474769
0.8235 Intermediate Similarity NPC266578
0.8226 Intermediate Similarity NPC264779
0.8209 Intermediate Similarity NPC476406
0.8194 Intermediate Similarity NPC38141
0.8169 Intermediate Similarity NPC201048
0.8169 Intermediate Similarity NPC476736
0.8169 Intermediate Similarity NPC469533
0.8169 Intermediate Similarity NPC306727
0.8169 Intermediate Similarity NPC469534
0.8169 Intermediate Similarity NPC476366
0.8169 Intermediate Similarity NPC469593
0.8143 Intermediate Similarity NPC167706
0.8143 Intermediate Similarity NPC301226
0.8143 Intermediate Similarity NPC164045
0.8143 Intermediate Similarity NPC111234
0.8116 Intermediate Similarity NPC234511
0.8088 Intermediate Similarity NPC74885
0.8088 Intermediate Similarity NPC308522
0.8082 Intermediate Similarity NPC138502
0.8082 Intermediate Similarity NPC212241
0.8082 Intermediate Similarity NPC307336
0.8082 Intermediate Similarity NPC248830
0.8082 Intermediate Similarity NPC470758
0.8082 Intermediate Similarity NPC257191
0.8082 Intermediate Similarity NPC331618
0.8082 Intermediate Similarity NPC260301
0.8082 Intermediate Similarity NPC119355
0.8082 Intermediate Similarity NPC470711
0.8028 Intermediate Similarity NPC195489
0.8028 Intermediate Similarity NPC182717
0.8028 Intermediate Similarity NPC95165
0.8028 Intermediate Similarity NPC211009
0.8028 Intermediate Similarity NPC472506
0.8 Intermediate Similarity NPC92801
0.8 Intermediate Similarity NPC34834
0.7973 Intermediate Similarity NPC472499
0.7973 Intermediate Similarity NPC472500
0.7973 Intermediate Similarity NPC472501
0.7973 Intermediate Similarity NPC472342
0.7973 Intermediate Similarity NPC301707
0.7971 Intermediate Similarity NPC471238
0.7971 Intermediate Similarity NPC208999
0.7945 Intermediate Similarity NPC470749
0.7945 Intermediate Similarity NPC253190
0.7945 Intermediate Similarity NPC265588
0.7941 Intermediate Similarity NPC202017
0.7917 Intermediate Similarity NPC254509
0.7917 Intermediate Similarity NPC25511
0.7917 Intermediate Similarity NPC49168
0.7917 Intermediate Similarity NPC308440
0.7917 Intermediate Similarity NPC100334
0.7917 Intermediate Similarity NPC192638
0.7917 Intermediate Similarity NPC196358
0.7917 Intermediate Similarity NPC5046
0.7917 Intermediate Similarity NPC145552
0.7917 Intermediate Similarity NPC62657
0.7917 Intermediate Similarity NPC472503
0.791 Intermediate Similarity NPC323424
0.791 Intermediate Similarity NPC96793
0.791 Intermediate Similarity NPC107540
0.7903 Intermediate Similarity NPC53209
0.7887 Intermediate Similarity NPC23954
0.7887 Intermediate Similarity NPC164022
0.7887 Intermediate Similarity NPC477792
0.7879 Intermediate Similarity NPC41160
0.7867 Intermediate Similarity NPC209430
0.7867 Intermediate Similarity NPC24504
0.7867 Intermediate Similarity NPC476316
0.7867 Intermediate Similarity NPC30986
0.7857 Intermediate Similarity NPC210323
0.7838 Intermediate Similarity NPC91594
0.7826 Intermediate Similarity NPC68703
0.7826 Intermediate Similarity NPC69649
0.7808 Intermediate Similarity NPC70982
0.7808 Intermediate Similarity NPC230704
0.7808 Intermediate Similarity NPC200243
0.7808 Intermediate Similarity NPC257347
0.7808 Intermediate Similarity NPC104387
0.7808 Intermediate Similarity NPC471723
0.7808 Intermediate Similarity NPC231256
0.7808 Intermediate Similarity NPC3403
0.7808 Intermediate Similarity NPC141071
0.7808 Intermediate Similarity NPC212879
0.7808 Intermediate Similarity NPC240235
0.7808 Intermediate Similarity NPC32832
0.7808 Intermediate Similarity NPC178383
0.7794 Intermediate Similarity NPC27243
0.7794 Intermediate Similarity NPC476737
0.7794 Intermediate Similarity NPC64123
0.7778 Intermediate Similarity NPC220939
0.7778 Intermediate Similarity NPC471799
0.7778 Intermediate Similarity NPC265485
0.7778 Intermediate Similarity NPC68443
0.7778 Intermediate Similarity NPC67508
0.7778 Intermediate Similarity NPC84824
0.7763 Intermediate Similarity NPC47149
0.7763 Intermediate Similarity NPC295131
0.7746 Intermediate Similarity NPC145498
0.7733 Intermediate Similarity NPC167891
0.7733 Intermediate Similarity NPC475
0.7733 Intermediate Similarity NPC476314
0.7733 Intermediate Similarity NPC474216
0.7733 Intermediate Similarity NPC472502
0.7733 Intermediate Similarity NPC11908
0.7733 Intermediate Similarity NPC83351
0.7714 Intermediate Similarity NPC2648
0.7703 Intermediate Similarity NPC265328
0.7703 Intermediate Similarity NPC247325
0.7703 Intermediate Similarity NPC91573
0.7703 Intermediate Similarity NPC290598
0.7703 Intermediate Similarity NPC63958
0.7703 Intermediate Similarity NPC27765
0.7703 Intermediate Similarity NPC244488
0.7703 Intermediate Similarity NPC129165
0.7703 Intermediate Similarity NPC237460
0.7703 Intermediate Similarity NPC122418
0.7703 Intermediate Similarity NPC278091
0.7703 Intermediate Similarity NPC86305
0.7703 Intermediate Similarity NPC78067
0.7703 Intermediate Similarity NPC30590
0.7703 Intermediate Similarity NPC120098
0.7703 Intermediate Similarity NPC189883
0.7703 Intermediate Similarity NPC134330
0.7703 Intermediate Similarity NPC14112
0.7703 Intermediate Similarity NPC93662
0.7671 Intermediate Similarity NPC91858
0.7671 Intermediate Similarity NPC471797
0.7671 Intermediate Similarity NPC243342
0.7671 Intermediate Similarity NPC477138
0.7662 Intermediate Similarity NPC157655
0.7662 Intermediate Similarity NPC476646
0.7656 Intermediate Similarity NPC39068
0.7647 Intermediate Similarity NPC219940
0.7647 Intermediate Similarity NPC225415
0.7639 Intermediate Similarity NPC471268
0.7639 Intermediate Similarity NPC110799
0.7639 Intermediate Similarity NPC242001
0.7639 Intermediate Similarity NPC471272
0.7639 Intermediate Similarity NPC471271
0.7632 Intermediate Similarity NPC84694
0.7632 Intermediate Similarity NPC47982
0.7632 Intermediate Similarity NPC143182
0.7632 Intermediate Similarity NPC5604
0.7632 Intermediate Similarity NPC109546
0.7632 Intermediate Similarity NPC81306
0.7632 Intermediate Similarity NPC28862
0.7619 Intermediate Similarity NPC286752
0.7612 Intermediate Similarity NPC147524
0.7606 Intermediate Similarity NPC471560
0.76 Intermediate Similarity NPC101475
0.76 Intermediate Similarity NPC157996
0.76 Intermediate Similarity NPC34177
0.76 Intermediate Similarity NPC90979
0.76 Intermediate Similarity NPC472805
0.76 Intermediate Similarity NPC40394
0.76 Intermediate Similarity NPC471798
0.76 Intermediate Similarity NPC202540
0.7571 Intermediate Similarity NPC88454
0.7571 Intermediate Similarity NPC101307
0.7571 Intermediate Similarity NPC114651
0.7571 Intermediate Similarity NPC197805
0.7571 Intermediate Similarity NPC117607
0.7568 Intermediate Similarity NPC322353
0.7568 Intermediate Similarity NPC138374
0.7568 Intermediate Similarity NPC304309
0.7568 Intermediate Similarity NPC103822
0.7568 Intermediate Similarity NPC118508
0.7568 Intermediate Similarity NPC22105
0.7568 Intermediate Similarity NPC121744
0.7568 Intermediate Similarity NPC134847
0.7568 Intermediate Similarity NPC288035
0.7568 Intermediate Similarity NPC291503

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475897 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
0.7568 Intermediate Similarity NPD7339 Approved
0.7568 Intermediate Similarity NPD6942 Approved
0.7467 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD7645 Phase 2
0.7308 Intermediate Similarity NPD7525 Registered
0.7105 Intermediate Similarity NPD8264 Approved
0.6974 Remote Similarity NPD6926 Approved
0.6974 Remote Similarity NPD6924 Approved
0.6962 Remote Similarity NPD6929 Approved
0.6933 Remote Similarity NPD7150 Approved
0.6933 Remote Similarity NPD7151 Approved
0.6933 Remote Similarity NPD7152 Approved
0.6914 Remote Similarity NPD3667 Approved
0.6905 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6892 Remote Similarity NPD6923 Approved
0.6892 Remote Similarity NPD6922 Approved
0.6875 Remote Similarity NPD6931 Approved
0.6875 Remote Similarity NPD6930 Phase 2
0.6867 Remote Similarity NPD7520 Clinical (unspecified phase)
0.68 Remote Similarity NPD7144 Approved
0.68 Remote Similarity NPD7143 Approved
0.6795 Remote Similarity NPD6933 Approved
0.6786 Remote Similarity NPD3618 Phase 1
0.6774 Remote Similarity NPD385 Approved
0.6774 Remote Similarity NPD384 Approved
0.6747 Remote Similarity NPD4786 Approved
0.6716 Remote Similarity NPD342 Phase 1
0.6711 Remote Similarity NPD4243 Approved
0.6709 Remote Similarity NPD5776 Phase 2
0.6709 Remote Similarity NPD6925 Approved
0.6667 Remote Similarity NPD7509 Discontinued
0.6667 Remote Similarity NPD4748 Discontinued
0.6627 Remote Similarity NPD6695 Phase 3
0.6625 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6625 Remote Similarity NPD7145 Approved
0.662 Remote Similarity NPD368 Approved
0.6552 Remote Similarity NPD5328 Approved
0.6548 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6548 Remote Similarity NPD3666 Approved
0.6548 Remote Similarity NPD3665 Phase 1
0.6548 Remote Similarity NPD3133 Approved
0.6538 Remote Similarity NPD4784 Approved
0.6538 Remote Similarity NPD4785 Approved
0.6471 Remote Similarity NPD6893 Approved
0.6463 Remote Similarity NPD7332 Phase 2
0.6463 Remote Similarity NPD7514 Phase 3
0.6456 Remote Similarity NPD5275 Approved
0.6456 Remote Similarity NPD4190 Phase 3
0.6447 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6447 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6447 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4788 Approved
0.6404 Remote Similarity NPD7515 Phase 2
0.6404 Remote Similarity NPD6079 Approved
0.6386 Remote Similarity NPD6902 Approved
0.6386 Remote Similarity NPD6898 Phase 1
0.6364 Remote Similarity NPD4787 Phase 1
0.6333 Remote Similarity NPD4202 Approved
0.6322 Remote Similarity NPD7524 Approved
0.6322 Remote Similarity NPD7750 Discontinued
0.6296 Remote Similarity NPD6932 Approved
0.6282 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6282 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6277 Remote Similarity NPD7640 Approved
0.6277 Remote Similarity NPD7639 Approved
0.6222 Remote Similarity NPD8035 Phase 2
0.6222 Remote Similarity NPD8034 Phase 2
0.617 Remote Similarity NPD4225 Approved
0.617 Remote Similarity NPD7638 Approved
0.6163 Remote Similarity NPD3668 Phase 3
0.6146 Remote Similarity NPD5211 Phase 2
0.6145 Remote Similarity NPD4195 Approved
0.6145 Remote Similarity NPD6683 Phase 2
0.6133 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6129 Remote Similarity NPD5221 Approved
0.6129 Remote Similarity NPD4697 Phase 3
0.6129 Remote Similarity NPD5222 Approved
0.6129 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6125 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6087 Remote Similarity NPD7748 Approved
0.6064 Remote Similarity NPD4755 Approved
0.6064 Remote Similarity NPD5173 Approved
0.6049 Remote Similarity NPD3703 Phase 2
0.6044 Remote Similarity NPD7087 Discontinued
0.6027 Remote Similarity NPD1145 Discontinued
0.6026 Remote Similarity NPD3698 Phase 2
0.6023 Remote Similarity NPD4519 Discontinued
0.6023 Remote Similarity NPD4623 Approved
0.6023 Remote Similarity NPD5279 Phase 3
0.602 Remote Similarity NPD5141 Approved
0.6 Remote Similarity NPD5290 Discontinued
0.6 Remote Similarity NPD4753 Phase 2
0.5978 Remote Similarity NPD6399 Phase 3
0.5976 Remote Similarity NPD6117 Approved
0.5949 Remote Similarity NPD4244 Approved
0.5949 Remote Similarity NPD4245 Approved
0.5938 Remote Similarity NPD5286 Approved
0.5938 Remote Similarity NPD5285 Approved
0.5938 Remote Similarity NPD4700 Approved
0.5938 Remote Similarity NPD4696 Approved
0.593 Remote Similarity NPD4221 Approved
0.593 Remote Similarity NPD4223 Phase 3
0.5915 Remote Similarity NPD4219 Approved
0.5909 Remote Similarity NPD1696 Phase 3
0.5904 Remote Similarity NPD6116 Phase 1
0.5895 Remote Similarity NPD7902 Approved
0.5882 Remote Similarity NPD4695 Discontinued
0.5876 Remote Similarity NPD5223 Approved
0.5873 Remote Similarity NPD1799 Clinical (unspecified phase)
0.5846 Remote Similarity NPD388 Approved
0.5846 Remote Similarity NPD386 Approved
0.5833 Remote Similarity NPD6115 Approved
0.5833 Remote Similarity NPD3671 Phase 1
0.5833 Remote Similarity NPD3617 Approved
0.5833 Remote Similarity NPD6118 Approved
0.5833 Remote Similarity NPD6697 Approved
0.5833 Remote Similarity NPD6114 Approved
0.5821 Remote Similarity NPD9410 Clinical (unspecified phase)
0.5816 Remote Similarity NPD5224 Approved
0.5816 Remote Similarity NPD5225 Approved
0.5816 Remote Similarity NPD7632 Discontinued
0.5816 Remote Similarity NPD5226 Approved
0.5816 Remote Similarity NPD4633 Approved
0.5795 Remote Similarity NPD4197 Approved
0.5789 Remote Similarity NPD371 Approved
0.5761 Remote Similarity NPD7136 Phase 2
0.5758 Remote Similarity NPD4754 Approved
0.5758 Remote Similarity NPD5175 Approved
0.5758 Remote Similarity NPD5174 Approved
0.575 Remote Similarity NPD4789 Approved
0.573 Remote Similarity NPD5329 Approved
0.5714 Remote Similarity NPD4159 Approved
0.5699 Remote Similarity NPD7637 Suspended
0.5698 Remote Similarity NPD6928 Phase 2
0.5696 Remote Similarity NPD6705 Phase 1
0.5696 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5696 Remote Similarity NPD5360 Phase 3
0.5684 Remote Similarity NPD5210 Approved
0.5684 Remote Similarity NPD4629 Approved
0.5667 Remote Similarity NPD4689 Approved
0.5667 Remote Similarity NPD4693 Phase 3
0.5667 Remote Similarity NPD5205 Approved
0.5667 Remote Similarity NPD4690 Approved
0.5667 Remote Similarity NPD7521 Approved
0.5667 Remote Similarity NPD4138 Approved
0.5667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5667 Remote Similarity NPD6684 Approved
0.5667 Remote Similarity NPD7146 Approved
0.5667 Remote Similarity NPD7334 Approved
0.5667 Remote Similarity NPD4688 Approved
0.5667 Remote Similarity NPD6409 Approved
0.5667 Remote Similarity NPD5330 Approved
0.5652 Remote Similarity NPD6051 Approved
0.5644 Remote Similarity NPD7128 Approved
0.5644 Remote Similarity NPD4767 Approved
0.5644 Remote Similarity NPD6675 Approved
0.5644 Remote Similarity NPD5739 Approved
0.5644 Remote Similarity NPD4768 Approved
0.5644 Remote Similarity NPD6402 Approved
0.561 Remote Similarity NPD4732 Discontinued

Structure

External Identifiers

PubChem CID   44584340
ChEMBL   CHEMBL518105
ZINC  

Physicochemical Properties

Molecular Weight:  220.18
ALogP:  1.0437
MLogP:  3
XLogP:  4.514
# Rotatable Bonds:  5
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  16

Download Data

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