Natural Product: NPC256766

Natural Product ID:  NPC256766
Common Name:   3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-Nonaen-1-Ol
IUPAC Name:   3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol
Synonyms:  
Molecular Formula:   C45H74O
Standard InCHIKey:  AFPLNGZPBSKHHQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3
Canonical SMILES:  OCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)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
NPO21498 Coccus ilicis Species Coccidae Eukaryota UNPD*
NPO12585 Craspidospermum verticillatum Species Apocynaceae Eukaryota UNPD*
NPO12069 Isaria felina Species Cordycipitaceae Eukaryota UNPD*
NPO7752 Beilschmiedia anacardioides Species Lauraceae Eukaryota UNPD*
NPO10012 Triaenophora rupestris Species Orobanchaceae Eukaryota UNPD*
NPO13504 Lotus japonicus Species Fabaceae Eukaryota UNPD*
NPO10865 Sextonia rubra Species Lauraceae Eukaryota UNPD*
NPO6179 Aframomum amaniense Species Zingiberaceae Eukaryota UNPD*
NPO13701 Melaleuca rhaphiophylla Species Myrtaceae Eukaryota UNPD*
NPO14615 Streptomyces paulus Species Streptomycetaceae Bacteria UNPD*
NPO13076 Cephalaria grossheimii Species Caprifoliaceae Eukaryota UNPD*
NPO14504 Alectoria divergens Species Parmeliaceae Eukaryota UNPD*
NPO12414 Penicillium paxilli Species Aspergillaceae Eukaryota UNPD*
NPO14089 Hypericum ascyron Species Hypericaceae Eukaryota UNPD*
NPO25774 Virola multinervia Species Myristicaceae Eukaryota UNPD*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO12910 Ixeris stolonifera Species Asteraceae Eukaryota UNPD*
NPO11882 Cedrus libani Species Pinaceae Eukaryota UNPD*
NPO12754 Cerinthe minor Species Boraginaceae Eukaryota UNPD*
NPO7169 Nama hispidum Species Namaceae Eukaryota UNPD*
NPO2130 Ehretia dicksonii Species Ehretiaceae Eukaryota UNPD*
NPO6774 Khaya senegalensis Species Meliaceae Eukaryota UNPD*
NPO3199 Balanophora involucrata Species Balanophoraceae Eukaryota UNPD*
NPO9669 Dictyopteris acrostichoides Species Dictyotaceae Eukaryota UNPD*
NPO13907 Senecio renardii Species Asteraceae Eukaryota UNPD*
NPO14289 Pieris napi Species Pieridae Eukaryota UNPD*
NPO12061 Justicia paniculata Species Acanthaceae Eukaryota UNPD*
NPO3458 Lupinus verbasciformis Species Fabaceae Eukaryota UNPD*
NPO10389 Larix cajanderi Species Pinaceae Eukaryota UNPD*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota UNPD*
NPO14200 Aristolochia zollingeriana Species Aristolochiaceae Eukaryota UNPD*
NPO12234 Khaya ivorensis Species Meliaceae Eukaryota UNPD*
NPO1661 Bartramia pomiformis Species Bartramiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 1.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 595.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5304.5 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 NPC256766 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
1.0 High Similarity NPC213538
0.9744 High Similarity NPC269823
0.9268 High Similarity NPC116934
0.9231 High Similarity NPC255042
0.9231 High Similarity NPC29091
0.9231 High Similarity NPC103213
0.9231 High Similarity NPC182840
0.9048 High Similarity NPC138935
0.8837 High Similarity NPC160628
0.8837 High Similarity NPC140501
0.8293 Intermediate Similarity NPC15934
0.8085 Intermediate Similarity NPC26960
0.8085 Intermediate Similarity NPC474460
0.8085 Intermediate Similarity NPC182102
0.7917 Intermediate Similarity NPC473672
0.7917 Intermediate Similarity NPC474495
0.7872 Intermediate Similarity NPC267110
0.775 Intermediate Similarity NPC58957
0.7727 Intermediate Similarity NPC304151
0.7727 Intermediate Similarity NPC206906
0.7609 Intermediate Similarity NPC269074
0.76 Intermediate Similarity NPC474496
0.75 Intermediate Similarity NPC250734
0.7447 Intermediate Similarity NPC180575
0.7447 Intermediate Similarity NPC308331
0.7347 Intermediate Similarity NPC474642
0.7347 Intermediate Similarity NPC473913
0.7347 Intermediate Similarity NPC249670
0.7308 Intermediate Similarity NPC329686
0.7292 Intermediate Similarity NPC318549
0.7209 Intermediate Similarity NPC34873
0.7209 Intermediate Similarity NPC40434
0.72 Intermediate Similarity NPC197272
0.72 Intermediate Similarity NPC89824
0.72 Intermediate Similarity NPC165447
0.72 Intermediate Similarity NPC9273
0.72 Intermediate Similarity NPC477723
0.72 Intermediate Similarity NPC170776
0.72 Intermediate Similarity NPC244038
0.72 Intermediate Similarity NPC294278
0.72 Intermediate Similarity NPC475477
0.72 Intermediate Similarity NPC224148
0.72 Intermediate Similarity NPC76198
0.72 Intermediate Similarity NPC329608
0.72 Intermediate Similarity NPC256656
0.72 Intermediate Similarity NPC471959
0.7179 Intermediate Similarity NPC242117
0.7143 Intermediate Similarity NPC85079
0.7143 Intermediate Similarity NPC31194
0.7143 Intermediate Similarity NPC153538
0.7143 Intermediate Similarity NPC248884
0.7083 Intermediate Similarity NPC35141
0.7083 Intermediate Similarity NPC55063
0.7083 Intermediate Similarity NPC19834
0.7083 Intermediate Similarity NPC124183
0.7059 Intermediate Similarity NPC35756
0.7037 Intermediate Similarity NPC11130
0.7037 Intermediate Similarity NPC268185
0.7037 Intermediate Similarity NPC129150
0.7021 Intermediate Similarity NPC101616
0.7021 Intermediate Similarity NPC6963
0.7021 Intermediate Similarity NPC304079
0.7 Intermediate Similarity NPC291437
0.7 Intermediate Similarity NPC477727
0.7 Intermediate Similarity NPC471281
0.7 Intermediate Similarity NPC199286
0.7 Intermediate Similarity NPC328784
0.7 Intermediate Similarity NPC72699
0.6981 Remote Similarity NPC474644
0.6957 Remote Similarity NPC51758
0.6957 Remote Similarity NPC209279
0.6957 Remote Similarity NPC88079
0.6957 Remote Similarity NPC180871
0.6957 Remote Similarity NPC68889
0.6957 Remote Similarity NPC108494
0.6957 Remote Similarity NPC67761
0.6957 Remote Similarity NPC194586
0.6923 Remote Similarity NPC115959
0.6923 Remote Similarity NPC217188
0.6923 Remote Similarity NPC123965
0.6909 Remote Similarity NPC181872
0.6909 Remote Similarity NPC223679
0.6909 Remote Similarity NPC226848
0.6889 Remote Similarity NPC329762
0.6889 Remote Similarity NPC103236
0.6889 Remote Similarity NPC56917
0.6889 Remote Similarity NPC27444
0.6875 Remote Similarity NPC221379
0.6875 Remote Similarity NPC24824
0.6875 Remote Similarity NPC76976
0.6875 Remote Similarity NPC165651
0.6875 Remote Similarity NPC210560
0.6863 Remote Similarity NPC59408
0.6863 Remote Similarity NPC151782
0.6863 Remote Similarity NPC55383
0.6863 Remote Similarity NPC93639
0.6863 Remote Similarity NPC71053
0.6852 Remote Similarity NPC55412
0.6852 Remote Similarity NPC473865
0.6852 Remote Similarity NPC474643
0.6852 Remote Similarity NPC249645
0.68 Remote Similarity NPC125122
0.68 Remote Similarity NPC471275
0.68 Remote Similarity NPC471280
0.68 Remote Similarity NPC471276
0.6792 Remote Similarity NPC473532
0.6792 Remote Similarity NPC48058
0.6792 Remote Similarity NPC189677
0.6786 Remote Similarity NPC475931
0.6786 Remote Similarity NPC122239
0.6735 Remote Similarity NPC197467
0.6731 Remote Similarity NPC142092
0.6731 Remote Similarity NPC208638
0.6727 Remote Similarity NPC249850
0.6727 Remote Similarity NPC294938
0.6727 Remote Similarity NPC293437
0.6727 Remote Similarity NPC135863
0.6667 Remote Similarity NPC152668
0.6667 Remote Similarity NPC473735
0.6667 Remote Similarity NPC251666
0.6667 Remote Similarity NPC130209
0.6667 Remote Similarity NPC173592
0.6667 Remote Similarity NPC473910
0.6667 Remote Similarity NPC298299
0.6667 Remote Similarity NPC148163
0.6667 Remote Similarity NPC473725
0.6667 Remote Similarity NPC12907
0.6667 Remote Similarity NPC108195
0.6667 Remote Similarity NPC288381
0.6667 Remote Similarity NPC473896
0.6667 Remote Similarity NPC305759
0.6667 Remote Similarity NPC471081
0.6667 Remote Similarity NPC225974
0.6667 Remote Similarity NPC475071
0.6667 Remote Similarity NPC99088
0.6667 Remote Similarity NPC473721
0.6667 Remote Similarity NPC475353
0.6667 Remote Similarity NPC148216
0.6667 Remote Similarity NPC130807
0.6667 Remote Similarity NPC20934
0.6667 Remote Similarity NPC232247
0.6607 Remote Similarity NPC254095
0.6607 Remote Similarity NPC21946
0.6604 Remote Similarity NPC61177
0.6596 Remote Similarity NPC149668
0.6585 Remote Similarity NPC471327
0.6552 Remote Similarity NPC29468
0.6545 Remote Similarity NPC470966
0.6545 Remote Similarity NPC477661
0.6545 Remote Similarity NPC471960
0.6545 Remote Similarity NPC470968
0.6545 Remote Similarity NPC48891
0.6545 Remote Similarity NPC470969
0.6545 Remote Similarity NPC311648
0.6545 Remote Similarity NPC161838
0.6545 Remote Similarity NPC473847
0.6545 Remote Similarity NPC475384
0.6545 Remote Similarity NPC470964
0.6545 Remote Similarity NPC470967
0.6538 Remote Similarity NPC129263
0.6531 Remote Similarity NPC47946
0.6531 Remote Similarity NPC276825
0.6531 Remote Similarity NPC26600
0.6522 Remote Similarity NPC18205
0.6522 Remote Similarity NPC12319
0.6491 Remote Similarity NPC82465
0.6481 Remote Similarity NPC110732
0.6481 Remote Similarity NPC49059
0.6481 Remote Similarity NPC256209
0.6471 Remote Similarity NPC62755
0.6458 Remote Similarity NPC252978
0.6444 Remote Similarity NPC180840
0.6429 Remote Similarity NPC470970
0.6429 Remote Similarity NPC63121
0.6429 Remote Similarity NPC594
0.6429 Remote Similarity NPC197356
0.6429 Remote Similarity NPC48968
0.6429 Remote Similarity NPC71755
0.64 Remote Similarity NPC128280
0.6383 Remote Similarity NPC188596
0.6364 Remote Similarity NPC79544
0.6364 Remote Similarity NPC227135
0.6364 Remote Similarity NPC470963
0.6364 Remote Similarity NPC146551
0.6364 Remote Similarity NPC281590
0.6364 Remote Similarity NPC477725
0.6364 Remote Similarity NPC477726
0.6364 Remote Similarity NPC474513
0.6316 Remote Similarity NPC155025
0.6296 Remote Similarity NPC34577
0.6279 Remote Similarity NPC81989
0.6271 Remote Similarity NPC55376
0.625 Remote Similarity NPC138325
0.625 Remote Similarity NPC249801
0.625 Remote Similarity NPC46248
0.623 Remote Similarity NPC477525
0.623 Remote Similarity NPC308844
0.623 Remote Similarity NPC282760
0.623 Remote Similarity NPC19569
0.6222 Remote Similarity NPC185839

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC256766 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
0.8837 High Similarity NPD4265 Approved
0.6852 Remote Similarity NPD4219 Approved
0.68 Remote Similarity NPD4220 Pre-registration
0.6667 Remote Similarity NPD2268 Discontinued
0.6667 Remote Similarity NPD5783 Phase 3
0.6667 Remote Similarity NPD342 Phase 1
0.6538 Remote Similarity NPD6927 Phase 3
0.6102 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6 Remote Similarity NPD368 Approved
0.5902 Remote Similarity NPD3210 Clinical (unspecified phase)
0.5882 Remote Similarity NPD39 Approved
0.58 Remote Similarity NPD5326 Phase 3
0.5763 Remote Similarity NPD585 Clinical (unspecified phase)
0.5686 Remote Similarity NPD6097 Approved
0.5686 Remote Similarity NPD6096 Approved
0.566 Remote Similarity NPD5343 Approved
0.5652 Remote Similarity NPD8264 Approved

Structure

External Identifiers

PubChem CID   83218
ChEMBL   CHEMBL3186547
ZINC  

Physicochemical Properties

Molecular Weight:  630.57
ALogP:  10.9651
MLogP:  6.3
XLogP:  15.278
# Rotatable Bonds:  36
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  46

Download Data

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Structure MOL file  
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Biological Activities  
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