Natural Product: NPC240506

Natural Product ID:  NPC240506
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H26O2
Standard InCHIKey:  BWQLMOGBKVQMOL-QDPHKQGLSA-N
Standard InCHI:  InChI=1S/C15H26O2/c1-12(11-16)5-4-6-13(2)14-7-9-15(3,17)10-8-14/h5,14,16-17H,2,4,6-11H2,1,3H3/b12-5-/t14-,15+
Canonical SMILES:  OC/C(=CCCC(=C)[C@@H]1CC[C@](CC1)(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
NPO17691 Santalum album Species Santalaceae Eukaryota PMID[15974602]
NPO17691 Santalum album Species Santalaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT451 Organism Helicobacter pylori Helicobacter pylori IZ = 8.9 mm 15974602

  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 NPC240506 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
0.8983 High Similarity NPC66020
0.8525 High Similarity NPC68679
0.8525 High Similarity NPC321867
0.8525 High Similarity NPC207007
0.85 High Similarity NPC122239
0.8485 Intermediate Similarity NPC23954
0.8448 Intermediate Similarity NPC148163
0.8448 Intermediate Similarity NPC130209
0.8448 Intermediate Similarity NPC148216
0.8438 Intermediate Similarity NPC82337
0.8358 Intermediate Similarity NPC220939
0.8358 Intermediate Similarity NPC265485
0.8308 Intermediate Similarity NPC96484
0.8281 Intermediate Similarity NPC267027
0.8281 Intermediate Similarity NPC202017
0.8281 Intermediate Similarity NPC326310
0.8254 Intermediate Similarity NPC300593
0.8254 Intermediate Similarity NPC96793
0.8254 Intermediate Similarity NPC323424
0.8235 Intermediate Similarity NPC201048
0.8235 Intermediate Similarity NPC476366
0.8197 Intermediate Similarity NPC475931
0.8136 Intermediate Similarity NPC251666
0.8136 Intermediate Similarity NPC232247
0.8125 Intermediate Similarity NPC308844
0.8095 Intermediate Similarity NPC473508
0.8095 Intermediate Similarity NPC174956
0.807 Intermediate Similarity NPC244038
0.8065 Intermediate Similarity NPC99487
0.806 Intermediate Similarity NPC34834
0.8033 Intermediate Similarity NPC226848
0.8033 Intermediate Similarity NPC155025
0.803 Intermediate Similarity NPC471238
0.8 Intermediate Similarity NPC470749
0.7941 Intermediate Similarity NPC471272
0.7941 Intermediate Similarity NPC477792
0.7931 Intermediate Similarity NPC35519
0.7931 Intermediate Similarity NPC181255
0.7931 Intermediate Similarity NPC306195
0.7931 Intermediate Similarity NPC157781
0.7931 Intermediate Similarity NPC179169
0.791 Intermediate Similarity NPC471560
0.791 Intermediate Similarity NPC474248
0.791 Intermediate Similarity NPC473893
0.7887 Intermediate Similarity NPC470711
0.7887 Intermediate Similarity NPC470758
0.7879 Intermediate Similarity NPC171225
0.7879 Intermediate Similarity NPC259299
0.7879 Intermediate Similarity NPC136813
0.7879 Intermediate Similarity NPC68703
0.7879 Intermediate Similarity NPC114651
0.7879 Intermediate Similarity NPC69649
0.7857 Intermediate Similarity NPC32832
0.7857 Intermediate Similarity NPC100445
0.7846 Intermediate Similarity NPC471200
0.7833 Intermediate Similarity NPC227135
0.7812 Intermediate Similarity NPC473759
0.7812 Intermediate Similarity NPC81615
0.7812 Intermediate Similarity NPC474155
0.7761 Intermediate Similarity NPC224532
0.7761 Intermediate Similarity NPC305698
0.7759 Intermediate Similarity NPC26906
0.7759 Intermediate Similarity NPC214584
0.7746 Intermediate Similarity NPC265588
0.7742 Intermediate Similarity NPC181872
0.7727 Intermediate Similarity NPC311736
0.7714 Intermediate Similarity NPC306727
0.7705 Intermediate Similarity NPC48891
0.7692 Intermediate Similarity NPC107540
0.7681 Intermediate Similarity NPC167706
0.7681 Intermediate Similarity NPC471268
0.7681 Intermediate Similarity NPC164022
0.7681 Intermediate Similarity NPC471271
0.7681 Intermediate Similarity NPC242992
0.7656 Intermediate Similarity NPC282694
0.7656 Intermediate Similarity NPC194208
0.7656 Intermediate Similarity NPC225342
0.7656 Intermediate Similarity NPC475251
0.7656 Intermediate Similarity NPC79576
0.7647 Intermediate Similarity NPC239373
0.7647 Intermediate Similarity NPC329989
0.7639 Intermediate Similarity NPC477425
0.7639 Intermediate Similarity NPC477427
0.7639 Intermediate Similarity NPC474826
0.7639 Intermediate Similarity NPC477426
0.7627 Intermediate Similarity NPC71506
0.7627 Intermediate Similarity NPC294358
0.7627 Intermediate Similarity NPC177112
0.7627 Intermediate Similarity NPC40417
0.7612 Intermediate Similarity NPC477791
0.7612 Intermediate Similarity NPC163290
0.7612 Intermediate Similarity NPC73603
0.7606 Intermediate Similarity NPC133580
0.7586 Intermediate Similarity NPC182102
0.7586 Intermediate Similarity NPC26960
0.7576 Intermediate Similarity NPC258595
0.7571 Intermediate Similarity NPC130665
0.7541 Intermediate Similarity NPC67508
0.7541 Intermediate Similarity NPC84824
0.7538 Intermediate Similarity NPC83200
0.7536 Intermediate Similarity NPC92801
0.7534 Intermediate Similarity NPC167891
0.7534 Intermediate Similarity NPC83351
0.75 Intermediate Similarity NPC276616
0.75 Intermediate Similarity NPC87439
0.75 Intermediate Similarity NPC24824
0.75 Intermediate Similarity NPC165651
0.75 Intermediate Similarity NPC167527
0.75 Intermediate Similarity NPC245795
0.75 Intermediate Similarity NPC253190
0.75 Intermediate Similarity NPC210560
0.75 Intermediate Similarity NPC208999
0.75 Intermediate Similarity NPC474496
0.7467 Intermediate Similarity NPC264245
0.7463 Intermediate Similarity NPC279434
0.7463 Intermediate Similarity NPC476406
0.7458 Intermediate Similarity NPC474495
0.7458 Intermediate Similarity NPC473672
0.7432 Intermediate Similarity NPC143182
0.7432 Intermediate Similarity NPC81306
0.7432 Intermediate Similarity NPC109546
0.7432 Intermediate Similarity NPC28862
0.7432 Intermediate Similarity NPC209430
0.7432 Intermediate Similarity NPC30986
0.7432 Intermediate Similarity NPC47982
0.7432 Intermediate Similarity NPC84694
0.7424 Intermediate Similarity NPC290367
0.7424 Intermediate Similarity NPC309300
0.7424 Intermediate Similarity NPC110241
0.7424 Intermediate Similarity NPC225415
0.7424 Intermediate Similarity NPC68656
0.7419 Intermediate Similarity NPC24443
0.7397 Intermediate Similarity NPC91594
0.7397 Intermediate Similarity NPC40049
0.7391 Intermediate Similarity NPC90115
0.7391 Intermediate Similarity NPC217570
0.7391 Intermediate Similarity NPC9942
0.7385 Intermediate Similarity NPC210346
0.7368 Intermediate Similarity NPC218616
0.7368 Intermediate Similarity NPC155521
0.7368 Intermediate Similarity NPC296701
0.7368 Intermediate Similarity NPC87489
0.7368 Intermediate Similarity NPC2524
0.7368 Intermediate Similarity NPC49964
0.7353 Intermediate Similarity NPC472875
0.7333 Intermediate Similarity NPC241290
0.7333 Intermediate Similarity NPC164840
0.7333 Intermediate Similarity NPC209944
0.7333 Intermediate Similarity NPC295131
0.7333 Intermediate Similarity NPC234193
0.7333 Intermediate Similarity NPC68014
0.7324 Intermediate Similarity NPC471799
0.7324 Intermediate Similarity NPC234527
0.7324 Intermediate Similarity NPC329763
0.7324 Intermediate Similarity NPC14352
0.7324 Intermediate Similarity NPC474743
0.7313 Intermediate Similarity NPC287339
0.7313 Intermediate Similarity NPC19569
0.7302 Intermediate Similarity NPC11130
0.7302 Intermediate Similarity NPC52012
0.7297 Intermediate Similarity NPC172066
0.7297 Intermediate Similarity NPC476314
0.7297 Intermediate Similarity NPC297996
0.7297 Intermediate Similarity NPC474216
0.7297 Intermediate Similarity NPC11908
0.7288 Intermediate Similarity NPC329773
0.7288 Intermediate Similarity NPC474460
0.7286 Intermediate Similarity NPC4299
0.7273 Intermediate Similarity NPC475789
0.7273 Intermediate Similarity NPC474634
0.726 Intermediate Similarity NPC236228
0.726 Intermediate Similarity NPC247325
0.726 Intermediate Similarity NPC244488
0.726 Intermediate Similarity NPC472305
0.726 Intermediate Similarity NPC151622
0.726 Intermediate Similarity NPC7629
0.726 Intermediate Similarity NPC256720
0.7258 Intermediate Similarity NPC218525
0.7258 Intermediate Similarity NPC329686
0.7258 Intermediate Similarity NPC281590
0.7258 Intermediate Similarity NPC298299
0.7246 Intermediate Similarity NPC266578
0.7237 Intermediate Similarity NPC47761
0.7237 Intermediate Similarity NPC249423
0.7237 Intermediate Similarity NPC476646
0.7237 Intermediate Similarity NPC23852
0.7237 Intermediate Similarity NPC209620
0.7231 Intermediate Similarity NPC471081
0.7222 Intermediate Similarity NPC471797
0.7222 Intermediate Similarity NPC190859
0.7222 Intermediate Similarity NPC309178
0.7222 Intermediate Similarity NPC471659
0.7206 Intermediate Similarity NPC222366
0.7206 Intermediate Similarity NPC286669
0.7206 Intermediate Similarity NPC250977
0.7206 Intermediate Similarity NPC476039
0.7206 Intermediate Similarity NPC162309
0.7206 Intermediate Similarity NPC475897
0.7188 Intermediate Similarity NPC475830
0.7183 Intermediate Similarity NPC469343

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC240506 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
0.8525 High Similarity NPD368 Approved
0.8448 Intermediate Similarity NPD342 Phase 1
0.7123 Intermediate Similarity NPD8264 Approved
0.7067 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6924 Approved
0.6986 Remote Similarity NPD6926 Approved
0.6914 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6897 Remote Similarity NPD4265 Approved
0.6892 Remote Similarity NPD6942 Approved
0.6892 Remote Similarity NPD7339 Approved
0.6883 Remote Similarity NPD7525 Registered
0.6883 Remote Similarity NPD7514 Phase 3
0.6883 Remote Similarity NPD7332 Phase 2
0.6883 Remote Similarity NPD6930 Phase 2
0.6883 Remote Similarity NPD6931 Approved
0.6875 Remote Similarity NPD4219 Approved
0.6849 Remote Similarity NPD4732 Discontinued
0.68 Remote Similarity NPD6933 Approved
0.6753 Remote Similarity NPD6929 Approved
0.6753 Remote Similarity NPD7645 Phase 2
0.6716 Remote Similarity NPD1145 Discontinued
0.6712 Remote Similarity NPD7151 Approved
0.6712 Remote Similarity NPD7152 Approved
0.6712 Remote Similarity NPD7150 Approved
0.6711 Remote Similarity NPD5776 Phase 2
0.6711 Remote Similarity NPD6925 Approved
0.6667 Remote Similarity NPD6922 Approved
0.6667 Remote Similarity NPD6923 Approved
0.6625 Remote Similarity NPD6695 Phase 3
0.6623 Remote Similarity NPD7145 Approved
0.6582 Remote Similarity NPD6902 Approved
0.6582 Remote Similarity NPD6898 Phase 1
0.6575 Remote Similarity NPD7144 Approved
0.6575 Remote Similarity NPD7143 Approved
0.6543 Remote Similarity NPD7338 Clinical (unspecified phase)
0.65 Remote Similarity NPD3667 Approved
0.6494 Remote Similarity NPD6932 Approved
0.6486 Remote Similarity NPD4243 Approved
0.6479 Remote Similarity NPD7331 Phase 2
0.6463 Remote Similarity NPD6893 Approved
0.6463 Remote Similarity NPD1696 Phase 3
0.6456 Remote Similarity NPD4822 Approved
0.6456 Remote Similarity NPD4821 Approved
0.6456 Remote Similarity NPD4819 Approved
0.6456 Remote Similarity NPD4820 Approved
0.6456 Remote Similarity NPD7509 Discontinued
0.6341 Remote Similarity NPD4786 Approved
0.6338 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6333 Remote Similarity NPD388 Approved
0.6333 Remote Similarity NPD386 Approved
0.6329 Remote Similarity NPD6683 Phase 2
0.6316 Remote Similarity NPD4785 Approved
0.6316 Remote Similarity NPD4784 Approved
0.631 Remote Similarity NPD7524 Approved
0.631 Remote Similarity NPD7750 Discontinued
0.625 Remote Similarity NPD4748 Discontinued
0.6234 Remote Similarity NPD4190 Phase 3
0.6234 Remote Similarity NPD5275 Approved
0.623 Remote Similarity NPD384 Approved
0.623 Remote Similarity NPD385 Approved
0.622 Remote Similarity NPD7154 Phase 3
0.622 Remote Similarity NPD5332 Approved
0.622 Remote Similarity NPD5331 Approved
0.622 Remote Similarity NPD5362 Discontinued
0.6203 Remote Similarity NPD4268 Approved
0.6203 Remote Similarity NPD4271 Approved
0.6203 Remote Similarity NPD5784 Clinical (unspecified phase)
0.619 Remote Similarity NPD3618 Phase 1
0.619 Remote Similarity NPD4519 Discontinued
0.619 Remote Similarity NPD4623 Approved
0.6173 Remote Similarity NPD4790 Discontinued
0.6145 Remote Similarity NPD3666 Approved
0.6145 Remote Similarity NPD3665 Phase 1
0.6145 Remote Similarity NPD3133 Approved
0.6125 Remote Similarity NPD4195 Approved
0.6111 Remote Similarity NPD7341 Phase 2
0.6098 Remote Similarity NPD4270 Approved
0.6098 Remote Similarity NPD4269 Approved
0.6049 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6023 Remote Similarity NPD7087 Discontinued
0.6 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5977 Remote Similarity NPD4753 Phase 2
0.5977 Remote Similarity NPD5328 Approved
0.5955 Remote Similarity NPD4202 Approved
0.5915 Remote Similarity NPD4191 Approved
0.5915 Remote Similarity NPD4194 Approved
0.5915 Remote Similarity NPD4192 Approved
0.5915 Remote Similarity NPD4193 Approved
0.5914 Remote Similarity NPD7639 Approved
0.5914 Remote Similarity NPD7640 Approved
0.5904 Remote Similarity NPD4221 Approved
0.5904 Remote Similarity NPD4223 Phase 3
0.5882 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5882 Remote Similarity NPD5363 Approved
0.5854 Remote Similarity NPD4252 Approved
0.5851 Remote Similarity NPD5344 Discontinued
0.5843 Remote Similarity NPD6079 Approved
0.5843 Remote Similarity NPD7637 Suspended
0.5843 Remote Similarity NPD7515 Phase 2
0.5814 Remote Similarity NPD5786 Approved
0.5814 Remote Similarity NPD5279 Phase 3
0.5806 Remote Similarity NPD4225 Approved
0.5806 Remote Similarity NPD7638 Approved
0.5789 Remote Similarity NPD1082 Approved
0.5789 Remote Similarity NPD319 Phase 1
0.5789 Remote Similarity NPD791 Approved
0.5789 Remote Similarity NPD15 Approved
0.5789 Remote Similarity NPD5211 Phase 2
0.5783 Remote Similarity NPD5369 Approved
0.5781 Remote Similarity NPD9410 Clinical (unspecified phase)
0.5778 Remote Similarity NPD5779 Approved
0.5778 Remote Similarity NPD5778 Approved
0.5765 Remote Similarity NPD3668 Phase 3
0.5765 Remote Similarity NPD4197 Approved
0.5765 Remote Similarity NPD6400 Clinical (unspecified phase)
0.573 Remote Similarity NPD7136 Phase 2
0.573 Remote Similarity NPD6698 Approved
0.573 Remote Similarity NPD46 Approved
0.5699 Remote Similarity NPD4755 Approved
0.5698 Remote Similarity NPD5329 Approved
0.567 Remote Similarity NPD5141 Approved
0.5667 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5667 Remote Similarity NPD7983 Approved
0.5663 Remote Similarity NPD5368 Approved
0.5663 Remote Similarity NPD4695 Discontinued
0.5663 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5652 Remote Similarity NPD4629 Approved
0.5652 Remote Similarity NPD5210 Approved
0.5647 Remote Similarity NPD4788 Approved
0.5647 Remote Similarity NPD6110 Phase 1
0.5638 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5632 Remote Similarity NPD4693 Phase 3
0.5632 Remote Similarity NPD4138 Approved
0.5632 Remote Similarity NPD5280 Approved
0.5632 Remote Similarity NPD4694 Approved
0.5632 Remote Similarity NPD5690 Phase 2
0.5632 Remote Similarity NPD4689 Approved
0.5632 Remote Similarity NPD4688 Approved
0.5632 Remote Similarity NPD4690 Approved
0.5632 Remote Similarity NPD5205 Approved
0.5632 Remote Similarity NPD4249 Approved
0.5625 Remote Similarity NPD8039 Approved
0.5618 Remote Similarity NPD6051 Approved
0.5616 Remote Similarity NPD3210 Clinical (unspecified phase)
0.5604 Remote Similarity NPD6399 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL456730
ZINC  

Physicochemical Properties

Molecular Weight:  238.19
ALogP:  1.706
MLogP:  2.89
XLogP:  2.456
# Rotatable Bonds:  9
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  17

Download Data

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