Natural Product: NPC15162

Natural Product ID:  NPC15162
Common Name:   2,6-Dimethyloct-7-En-2-Ol
IUPAC Name:   2,6-dimethyloct-7-en-2-ol
Synonyms:  
Molecular Formula:   C10H20O
Standard InCHIKey:  XSNQECSCDATQEL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
Canonical SMILES:  C=CC(CCCC(O)(C)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
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TM-MC*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 3.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76802.3 nM PubChem BioAssay data set

  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 NPC15162 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
0.8298 Intermediate Similarity NPC131623
0.7917 Intermediate Similarity NPC329773
0.7872 Intermediate Similarity NPC100445
0.7755 Intermediate Similarity NPC214584
0.7755 Intermediate Similarity NPC26906
0.7692 Intermediate Similarity NPC274396
0.7692 Intermediate Similarity NPC39068
0.76 Intermediate Similarity NPC35519
0.76 Intermediate Similarity NPC179169
0.76 Intermediate Similarity NPC181255
0.76 Intermediate Similarity NPC306195
0.76 Intermediate Similarity NPC157781
0.7447 Intermediate Similarity NPC87439
0.7381 Intermediate Similarity NPC328441
0.7333 Intermediate Similarity NPC188596
0.7255 Intermediate Similarity NPC68014
0.7255 Intermediate Similarity NPC71506
0.7255 Intermediate Similarity NPC294358
0.7255 Intermediate Similarity NPC40417
0.7255 Intermediate Similarity NPC177112
0.7222 Intermediate Similarity NPC278550
0.7174 Intermediate Similarity NPC180871
0.7174 Intermediate Similarity NPC46248
0.7174 Intermediate Similarity NPC249801
0.7174 Intermediate Similarity NPC194586
0.7174 Intermediate Similarity NPC108494
0.7174 Intermediate Similarity NPC51758
0.7174 Intermediate Similarity NPC88079
0.7174 Intermediate Similarity NPC209279
0.7174 Intermediate Similarity NPC67761
0.7174 Intermediate Similarity NPC68889
0.717 Intermediate Similarity NPC227135
0.7143 Intermediate Similarity NPC323153
0.7083 Intermediate Similarity NPC165651
0.7083 Intermediate Similarity NPC24824
0.7083 Intermediate Similarity NPC210560
0.7037 Intermediate Similarity NPC264779
0.7018 Intermediate Similarity NPC41160
0.6964 Remote Similarity NPC5698
0.6897 Remote Similarity NPC174956
0.6852 Remote Similarity NPC67508
0.6852 Remote Similarity NPC84824
0.6852 Remote Similarity NPC281590
0.6842 Remote Similarity NPC66020
0.6842 Remote Similarity NPC135648
0.6792 Remote Similarity NPC192962
0.6786 Remote Similarity NPC189290
0.6786 Remote Similarity NPC10017
0.6786 Remote Similarity NPC474769
0.6786 Remote Similarity NPC41180
0.6786 Remote Similarity NPC152438
0.678 Remote Similarity NPC300593
0.6727 Remote Similarity NPC24443
0.6724 Remote Similarity NPC194208
0.6724 Remote Similarity NPC63111
0.6724 Remote Similarity NPC79576
0.6724 Remote Similarity NPC225342
0.6724 Remote Similarity NPC282694
0.6667 Remote Similarity NPC184049
0.6667 Remote Similarity NPC252978
0.6667 Remote Similarity NPC52431
0.6667 Remote Similarity NPC99480
0.6667 Remote Similarity NPC469321
0.6667 Remote Similarity NPC286752
0.6667 Remote Similarity NPC310228
0.6667 Remote Similarity NPC168518
0.6667 Remote Similarity NPC64123
0.6667 Remote Similarity NPC105780
0.6667 Remote Similarity NPC475931
0.661 Remote Similarity NPC81615
0.6607 Remote Similarity NPC52012
0.6557 Remote Similarity NPC267027
0.6557 Remote Similarity NPC279434
0.6557 Remote Similarity NPC476406
0.6552 Remote Similarity NPC40206
0.6552 Remote Similarity NPC469694
0.6552 Remote Similarity NPC252809
0.6552 Remote Similarity NPC240506
0.6545 Remote Similarity NPC130209
0.6545 Remote Similarity NPC218525
0.6545 Remote Similarity NPC148216
0.6545 Remote Similarity NPC148163
0.6491 Remote Similarity NPC475830
0.6491 Remote Similarity NPC181872
0.6491 Remote Similarity NPC155025
0.6452 Remote Similarity NPC73603
0.6441 Remote Similarity NPC207007
0.6441 Remote Similarity NPC68679
0.6441 Remote Similarity NPC15152
0.6441 Remote Similarity NPC210346
0.6441 Remote Similarity NPC321867
0.6429 Remote Similarity NPC179024
0.6415 Remote Similarity NPC48162
0.6415 Remote Similarity NPC251335
0.64 Remote Similarity NPC76976
0.6393 Remote Similarity NPC308844
0.6393 Remote Similarity NPC469326
0.6393 Remote Similarity NPC261782
0.6393 Remote Similarity NPC205618
0.6393 Remote Similarity NPC471200
0.6383 Remote Similarity NPC56917
0.6379 Remote Similarity NPC122239
0.6379 Remote Similarity NPC278202
0.6333 Remote Similarity NPC50435
0.6333 Remote Similarity NPC474480
0.6327 Remote Similarity NPC269862
0.6304 Remote Similarity NPC34873
0.6304 Remote Similarity NPC40434
0.6296 Remote Similarity NPC208638
0.629 Remote Similarity NPC197089
0.6271 Remote Similarity NPC99487
0.625 Remote Similarity NPC9942
0.625 Remote Similarity NPC223604
0.625 Remote Similarity NPC329686
0.625 Remote Similarity NPC476431
0.625 Remote Similarity NPC304690
0.625 Remote Similarity NPC232247
0.625 Remote Similarity NPC476604
0.625 Remote Similarity NPC74722
0.625 Remote Similarity NPC251666
0.623 Remote Similarity NPC219940
0.623 Remote Similarity NPC309300
0.623 Remote Similarity NPC225415
0.623 Remote Similarity NPC101128
0.6226 Remote Similarity NPC474460
0.6207 Remote Similarity NPC226848
0.6207 Remote Similarity NPC329819
0.619 Remote Similarity NPC101307
0.619 Remote Similarity NPC472255
0.619 Remote Similarity NPC472253
0.619 Remote Similarity NPC88454
0.619 Remote Similarity NPC278895
0.619 Remote Similarity NPC136813
0.619 Remote Similarity NPC117607
0.6182 Remote Similarity NPC165755
0.6167 Remote Similarity NPC274704
0.6167 Remote Similarity NPC64971
0.6167 Remote Similarity NPC475251
0.6154 Remote Similarity NPC475728
0.614 Remote Similarity NPC141699
0.614 Remote Similarity NPC48891
0.614 Remote Similarity NPC210316
0.6136 Remote Similarity NPC283682
0.6129 Remote Similarity NPC238352
0.6129 Remote Similarity NPC250836
0.6129 Remote Similarity NPC61503
0.6129 Remote Similarity NPC19569
0.6129 Remote Similarity NPC258595
0.6129 Remote Similarity NPC477009
0.6094 Remote Similarity NPC471238
0.6094 Remote Similarity NPC94192
0.6094 Remote Similarity NPC2648
0.6087 Remote Similarity NPC177022
0.6078 Remote Similarity NPC108441
0.6078 Remote Similarity NPC77550
0.6066 Remote Similarity NPC211291
0.6066 Remote Similarity NPC473759
0.6066 Remote Similarity NPC474155
0.6066 Remote Similarity NPC473508
0.6066 Remote Similarity NPC133368
0.6066 Remote Similarity NPC279200
0.6061 Remote Similarity NPC471272
0.6061 Remote Similarity NPC475077
0.6061 Remote Similarity NPC471660
0.6038 Remote Similarity NPC62755
0.6034 Remote Similarity NPC121034
0.6034 Remote Similarity NPC7491
0.6034 Remote Similarity NPC101285
0.6034 Remote Similarity NPC27853
0.6034 Remote Similarity NPC165808
0.6034 Remote Similarity NPC65786
0.6034 Remote Similarity NPC13789
0.6032 Remote Similarity NPC149680
0.6032 Remote Similarity NPC103734
0.6032 Remote Similarity NPC469328
0.6032 Remote Similarity NPC202017
0.6032 Remote Similarity NPC230107
0.6032 Remote Similarity NPC272125
0.6 Remote Similarity NPC144891
0.6 Remote Similarity NPC162109
0.6 Remote Similarity NPC329989
0.6 Remote Similarity NPC469914
0.6 Remote Similarity NPC144647
0.6 Remote Similarity NPC471560
0.6 Remote Similarity NPC239373
0.6 Remote Similarity NPC35756
0.6 Remote Similarity NPC210323
0.6 Remote Similarity NPC472947
0.597 Remote Similarity NPC476609
0.5968 Remote Similarity NPC290367
0.5968 Remote Similarity NPC234767
0.5968 Remote Similarity NPC144650
0.5968 Remote Similarity NPC107540
0.5968 Remote Similarity NPC68656
0.5965 Remote Similarity NPC474644
0.5938 Remote Similarity NPC161612
0.5938 Remote Similarity NPC476650
0.5938 Remote Similarity NPC33583
0.5938 Remote Similarity NPC139207
0.5938 Remote Similarity NPC197805

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC15162 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
0.6545 Remote Similarity NPD342 Phase 1
0.6441 Remote Similarity NPD368 Approved
0.6346 Remote Similarity NPD9410 Clinical (unspecified phase)
0.6078 Remote Similarity NPD386 Approved
0.6078 Remote Similarity NPD388 Approved
0.5902 Remote Similarity NPD834 Approved
0.5902 Remote Similarity NPD835 Approved
0.5882 Remote Similarity NPD4785 Approved
0.5882 Remote Similarity NPD4784 Approved
0.5849 Remote Similarity NPD622 Approved
0.5821 Remote Similarity NPD4243 Approved
0.5806 Remote Similarity NPD832 Approved
0.5806 Remote Similarity NPD833 Approved
0.5781 Remote Similarity NPD7331 Phase 2
0.5741 Remote Similarity NPD3173 Approved
0.5738 Remote Similarity NPD1145 Discontinued
0.5672 Remote Similarity NPD7144 Approved
0.5672 Remote Similarity NPD7143 Approved
0.5667 Remote Similarity NPD570 Approved
0.566 Remote Similarity NPD385 Approved
0.566 Remote Similarity NPD384 Approved
0.5652 Remote Similarity NPD6926 Approved
0.5652 Remote Similarity NPD6924 Approved
0.5625 Remote Similarity NPD7341 Phase 2
0.5614 Remote Similarity NPD3172 Approved

Structure

External Identifiers

PubChem CID   29096
ChEMBL   CHEMBL3184487
ZINC  

Physicochemical Properties

Molecular Weight:  156.15
ALogP:  1.1979
MLogP:  2.45
XLogP:  3.573
# Rotatable Bonds:  9
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  11

Download Data

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