Natural Product: NPC244038

Natural Product ID:  NPC244038
Common Name:   (Z)-Lanceol
IUPAC Name:   (2E)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol
Synonyms:   (Z)-Lanceol
Molecular Formula:   C15H24O
Standard InCHIKey:  HBVOEGGRCJCMLG-DTHCKZEYSA-N
Standard InCHI:  InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,15-16H,3-4,6,8-11H2,1-2H3/b13-5+/t15-/m1/s1
Canonical SMILES:  OC/C(=C/CCC(=C)[C@H]1CCC(=CC1)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
NPO17691 Santalum album Species Santalaceae Eukaryota PMID[15974602]
NPO17691 Santalum album Species Santalaceae Eukaryota TCMSP*
NPO3724 Amomum neoaurantiacum Species Zingiberaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT451 Organism Helicobacter pylori Helicobacter pylori IZ = 11.9 mm 15974602
NPT452 Organism Helicobacter pylori SS1 Helicobacter pylori SS1 IZ = 10.6 mm 15974602
NPT451 Organism Helicobacter pylori Helicobacter pylori MIC = 62.5 ug/ml 15974602
NPT452 Organism Helicobacter pylori SS1 Helicobacter pylori SS1 MIC = 125 ug/ml 15974602
NPT451 Organism Helicobacter pylori Helicobacter pylori MIC = 31.3 ug/ml 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 NPC244038 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
0.8846 High Similarity NPC148216
0.8846 High Similarity NPC232247
0.8846 High Similarity NPC130209
0.8846 High Similarity NPC148163
0.8846 High Similarity NPC251666
0.86 High Similarity NPC26960
0.86 High Similarity NPC182102
0.8491 Intermediate Similarity NPC298299
0.807 Intermediate Similarity NPC240506
0.807 Intermediate Similarity NPC66020
0.8 Intermediate Similarity NPC55412
0.8 Intermediate Similarity NPC249645
0.8 Intermediate Similarity NPC48891
0.7931 Intermediate Similarity NPC207007
0.7931 Intermediate Similarity NPC321867
0.7931 Intermediate Similarity NPC68679
0.7857 Intermediate Similarity NPC11130
0.78 Intermediate Similarity NPC24824
0.78 Intermediate Similarity NPC165651
0.78 Intermediate Similarity NPC210560
0.7705 Intermediate Similarity NPC326310
0.7705 Intermediate Similarity NPC202017
0.7667 Intermediate Similarity NPC96793
0.7667 Intermediate Similarity NPC107540
0.7667 Intermediate Similarity NPC323424
0.766 Intermediate Similarity NPC255042
0.766 Intermediate Similarity NPC29091
0.766 Intermediate Similarity NPC103213
0.766 Intermediate Similarity NPC182840
0.7593 Intermediate Similarity NPC181255
0.7593 Intermediate Similarity NPC179169
0.7593 Intermediate Similarity NPC306195
0.7593 Intermediate Similarity NPC157781
0.7593 Intermediate Similarity NPC35519
0.7586 Intermediate Similarity NPC122239
0.7586 Intermediate Similarity NPC309825
0.7581 Intermediate Similarity NPC114651
0.7581 Intermediate Similarity NPC171225
0.75 Intermediate Similarity NPC329686
0.746 Intermediate Similarity NPC96484
0.7458 Intermediate Similarity NPC234264
0.7458 Intermediate Similarity NPC471081
0.7458 Intermediate Similarity NPC47840
0.7447 Intermediate Similarity NPC297643
0.7447 Intermediate Similarity NPC229262
0.7447 Intermediate Similarity NPC139717
0.7419 Intermediate Similarity NPC267027
0.7414 Intermediate Similarity NPC226848
0.7414 Intermediate Similarity NPC155025
0.7414 Intermediate Similarity NPC181872
0.7407 Intermediate Similarity NPC214584
0.7407 Intermediate Similarity NPC474495
0.7407 Intermediate Similarity NPC473672
0.7407 Intermediate Similarity NPC26906
0.74 Intermediate Similarity NPC269862
0.74 Intermediate Similarity NPC116934
0.7377 Intermediate Similarity NPC475704
0.7368 Intermediate Similarity NPC474643
0.7368 Intermediate Similarity NPC473865
0.7347 Intermediate Similarity NPC269823
0.7344 Intermediate Similarity NPC474248
0.7344 Intermediate Similarity NPC471560
0.7302 Intermediate Similarity NPC82337
0.7292 Intermediate Similarity NPC15934
0.7288 Intermediate Similarity NPC475931
0.7273 Intermediate Similarity NPC177112
0.7273 Intermediate Similarity NPC71506
0.7273 Intermediate Similarity NPC68014
0.7273 Intermediate Similarity NPC35756
0.7234 Intermediate Similarity NPC76145
0.7234 Intermediate Similarity NPC34764
0.7234 Intermediate Similarity NPC190810
0.7231 Intermediate Similarity NPC34834
0.7222 Intermediate Similarity NPC474460
0.7213 Intermediate Similarity NPC473759
0.7213 Intermediate Similarity NPC473508
0.7213 Intermediate Similarity NPC174956
0.7213 Intermediate Similarity NPC124112
0.7213 Intermediate Similarity NPC474155
0.72 Intermediate Similarity NPC213538
0.72 Intermediate Similarity NPC256766
0.7193 Intermediate Similarity NPC474644
0.7167 Intermediate Similarity NPC99487
0.7143 Intermediate Similarity NPC135650
0.7121 Intermediate Similarity NPC23954
0.7115 Intermediate Similarity NPC160628
0.7115 Intermediate Similarity NPC87439
0.7115 Intermediate Similarity NPC269074
0.7115 Intermediate Similarity NPC140501
0.7097 Intermediate Similarity NPC300593
0.7077 Intermediate Similarity NPC473893
0.7049 Intermediate Similarity NPC469728
0.7049 Intermediate Similarity NPC225342
0.7037 Intermediate Similarity NPC62755
0.7031 Intermediate Similarity NPC69649
0.7031 Intermediate Similarity NPC472875
0.7031 Intermediate Similarity NPC68703
0.7015 Intermediate Similarity NPC220939
0.7015 Intermediate Similarity NPC265485
0.7 Intermediate Similarity NPC188596
0.6984 Remote Similarity NPC308844
0.6984 Remote Similarity NPC19569
0.6984 Remote Similarity NPC187619
0.6984 Remote Similarity NPC471200
0.6964 Remote Similarity NPC208638
0.6964 Remote Similarity NPC40417
0.6964 Remote Similarity NPC294358
0.6935 Remote Similarity NPC81615
0.6923 Remote Similarity NPC117804
0.6923 Remote Similarity NPC138935
0.6909 Remote Similarity NPC72699
0.6897 Remote Similarity NPC227135
0.6885 Remote Similarity NPC176621
0.6875 Remote Similarity NPC286669
0.6875 Remote Similarity NPC222366
0.6875 Remote Similarity NPC311736
0.6875 Remote Similarity NPC162309
0.6875 Remote Similarity NPC476039
0.6863 Remote Similarity NPC180871
0.6863 Remote Similarity NPC108494
0.6863 Remote Similarity NPC88079
0.6863 Remote Similarity NPC304151
0.6863 Remote Similarity NPC67761
0.6863 Remote Similarity NPC194586
0.6863 Remote Similarity NPC51758
0.6863 Remote Similarity NPC68889
0.6863 Remote Similarity NPC209279
0.6842 Remote Similarity NPC474496
0.6825 Remote Similarity NPC110241
0.6825 Remote Similarity NPC290367
0.6825 Remote Similarity NPC309300
0.6786 Remote Similarity NPC151782
0.6774 Remote Similarity NPC475251
0.6769 Remote Similarity NPC163290
0.6769 Remote Similarity NPC136813
0.6769 Remote Similarity NPC259299
0.6769 Remote Similarity NPC197805
0.6769 Remote Similarity NPC477791
0.6765 Remote Similarity NPC474743
0.6765 Remote Similarity NPC130665
0.6731 Remote Similarity NPC252978
0.6727 Remote Similarity NPC267110
0.6727 Remote Similarity NPC153538
0.6727 Remote Similarity NPC31194
0.6727 Remote Similarity NPC248884
0.6727 Remote Similarity NPC85079
0.6724 Remote Similarity NPC189677
0.6719 Remote Similarity NPC163678
0.6716 Remote Similarity NPC189745
0.6714 Remote Similarity NPC247325
0.6714 Remote Similarity NPC244488
0.6667 Remote Similarity NPC216460
0.6667 Remote Similarity NPC208999
0.6667 Remote Similarity NPC180575
0.6667 Remote Similarity NPC224532
0.6667 Remote Similarity NPC83200
0.6667 Remote Similarity NPC55063
0.6667 Remote Similarity NPC201048
0.6667 Remote Similarity NPC476366
0.6667 Remote Similarity NPC19834
0.6667 Remote Similarity NPC167527
0.6667 Remote Similarity NPC471238
0.6667 Remote Similarity NPC305698
0.662 Remote Similarity NPC477426
0.662 Remote Similarity NPC471061
0.662 Remote Similarity NPC477425
0.662 Remote Similarity NPC91594
0.662 Remote Similarity NPC40049
0.662 Remote Similarity NPC477427
0.662 Remote Similarity NPC474826
0.6618 Remote Similarity NPC95863
0.6618 Remote Similarity NPC477792
0.6615 Remote Similarity NPC81907
0.6615 Remote Similarity NPC250977
0.6615 Remote Similarity NPC259156
0.6615 Remote Similarity NPC279434
0.6615 Remote Similarity NPC242945
0.6613 Remote Similarity NPC19241
0.661 Remote Similarity NPC67508
0.661 Remote Similarity NPC84824
0.6607 Remote Similarity NPC249670
0.6607 Remote Similarity NPC473913
0.6607 Remote Similarity NPC475071
0.6607 Remote Similarity NPC329773
0.6607 Remote Similarity NPC474642
0.6604 Remote Similarity NPC248411
0.6604 Remote Similarity NPC108195
0.6604 Remote Similarity NPC202189
0.6571 Remote Similarity NPC69383
0.6571 Remote Similarity NPC313179
0.6571 Remote Similarity NPC32832
0.6571 Remote Similarity NPC171148
0.6567 Remote Similarity NPC90115
0.6567 Remote Similarity NPC217570
0.6567 Remote Similarity NPC239373
0.6567 Remote Similarity NPC329989
0.6562 Remote Similarity NPC150162
0.6562 Remote Similarity NPC225415
0.6557 Remote Similarity NPC10017
0.6557 Remote Similarity NPC475830

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC244038 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
0.8846 High Similarity NPD342 Phase 1
0.8 Intermediate Similarity NPD4219 Approved
0.7931 Intermediate Similarity NPD368 Approved
0.7234 Intermediate Similarity NPD319 Phase 1
0.7115 Intermediate Similarity NPD4265 Approved
0.6571 Remote Similarity NPD8264 Approved
0.6508 Remote Similarity NPD4193 Approved
0.6508 Remote Similarity NPD4192 Approved
0.6508 Remote Similarity NPD4191 Approved
0.6508 Remote Similarity NPD4194 Approved
0.6111 Remote Similarity NPD6942 Approved
0.6111 Remote Similarity NPD7339 Approved
0.6087 Remote Similarity NPD6922 Approved
0.6087 Remote Similarity NPD6923 Approved
0.6081 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6061 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6056 Remote Similarity NPD4732 Discontinued
0.6027 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6 Remote Similarity NPD7143 Approved
0.6 Remote Similarity NPD7144 Approved
0.5946 Remote Similarity NPD6925 Approved
0.5946 Remote Similarity NPD5776 Phase 2
0.5921 Remote Similarity NPD7332 Phase 2
0.5921 Remote Similarity NPD7514 Phase 3
0.5915 Remote Similarity NPD7150 Approved
0.5915 Remote Similarity NPD7152 Approved
0.5915 Remote Similarity NPD7151 Approved
0.5867 Remote Similarity NPD7145 Approved
0.5844 Remote Similarity NPD6902 Approved
0.5802 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5789 Remote Similarity NPD6929 Approved
0.5789 Remote Similarity NPD7645 Phase 2
0.5753 Remote Similarity NPD6926 Approved
0.5753 Remote Similarity NPD6924 Approved
0.5714 Remote Similarity NPD6930 Phase 2
0.5714 Remote Similarity NPD6931 Approved
0.5694 Remote Similarity NPD4243 Approved
0.5672 Remote Similarity NPD3210 Clinical (unspecified phase)
0.5658 Remote Similarity NPD4268 Approved
0.5658 Remote Similarity NPD4271 Approved
0.5658 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5652 Remote Similarity NPD7331 Phase 2
0.5641 Remote Similarity NPD6898 Phase 1
0.5636 Remote Similarity NPD1799 Clinical (unspecified phase)
0.5625 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5606 Remote Similarity NPD4246 Clinical (unspecified phase)
0.56 Remote Similarity NPD6933 Approved

Structure

External Identifiers

PubChem CID   15560069
ChEMBL   CHEMBL443875
ZINC  

Physicochemical Properties

Molecular Weight:  220.18
ALogP:  2.2839
MLogP:  3
XLogP:  3.67
# Rotatable Bonds:  8
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  16

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs