Natural Product: NPC23418

Natural Product ID:  NPC23418
Common Name:   (4S,6S,8S,10S,12S,14S,16S,17E)-4,6,8,10,12,14,16-Heptamethoxy-17-Methyltricosa-1,17-Diene
IUPAC Name:   (4S,6S,8S,10S,12S,14S,16S,17E)-4,6,8,10,12,14,16-heptamethoxy-17-methyltricosa-1,17-diene
Synonyms:  
Molecular Formula:   C31H60O7
Standard InCHIKey:  BHBZIDHROZIXAX-IGRWVNROSA-N
Standard InCHI:  InChI=1S/C31H60O7/c1-11-13-14-15-17-24(3)31(38-10)23-30(37-9)22-29(36-8)21-28(35-7)20-27(34-6)19-26(33-5)18-25(32-4)16-12-2/h12,17,25-31H,2,11,13-16,18-23H2,1,3-10H3/b24-17+/t25-,26-,27-,28-,29-,30-,31-/m0/s1
Canonical SMILES:  CCCCC/C=C(/[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC)OC)OC)OC)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
NPO11960 Myriastra clavosa NA NA NA Philippines PMID[12193033]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 119000 nM 17850214

  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 NPC23418 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
0.9643 High Similarity NPC158368
0.9643 High Similarity NPC226872
0.9643 High Similarity NPC154908
0.9643 High Similarity NPC252851
0.7647 Intermediate Similarity NPC477084
0.7536 Intermediate Similarity NPC327383
0.7536 Intermediate Similarity NPC185186
0.7536 Intermediate Similarity NPC477085
0.7536 Intermediate Similarity NPC329914
0.7458 Intermediate Similarity NPC474496
0.7429 Intermediate Similarity NPC477204
0.7391 Intermediate Similarity NPC477087
0.7391 Intermediate Similarity NPC475762
0.7391 Intermediate Similarity NPC477086
0.7353 Intermediate Similarity NPC269841
0.7324 Intermediate Similarity NPC327041
0.7324 Intermediate Similarity NPC285840
0.7302 Intermediate Similarity NPC474267
0.7286 Intermediate Similarity NPC329890
0.7246 Intermediate Similarity NPC476012
0.7222 Intermediate Similarity NPC188860
0.7206 Intermediate Similarity NPC305698
0.7188 Intermediate Similarity NPC127824
0.7164 Intermediate Similarity NPC284447
0.7162 Intermediate Similarity NPC139712
0.7123 Intermediate Similarity NPC477203
0.7123 Intermediate Similarity NPC84360
0.7123 Intermediate Similarity NPC233071
0.7121 Intermediate Similarity NPC477457
0.7121 Intermediate Similarity NPC477456
0.7119 Intermediate Similarity NPC474495
0.7119 Intermediate Similarity NPC473672
0.7101 Intermediate Similarity NPC472947
0.7101 Intermediate Similarity NPC101622
0.7067 Intermediate Similarity NPC474739
0.7059 Intermediate Similarity NPC73603
0.7059 Intermediate Similarity NPC259299
0.7031 Intermediate Similarity NPC122239
0.7031 Intermediate Similarity NPC143810
0.7031 Intermediate Similarity NPC83838
0.7027 Intermediate Similarity NPC248775
0.7 Intermediate Similarity NPC4299
0.7 Intermediate Similarity NPC476037
0.7 Intermediate Similarity NPC469660
0.6986 Remote Similarity NPC256720
0.6986 Remote Similarity NPC236228
0.6986 Remote Similarity NPC469880
0.6986 Remote Similarity NPC477202
0.6974 Remote Similarity NPC184208
0.6974 Remote Similarity NPC8538
0.6957 Remote Similarity NPC475760
0.6933 Remote Similarity NPC476701
0.6933 Remote Similarity NPC470148
0.6933 Remote Similarity NPC180725
0.6933 Remote Similarity NPC477088
0.6933 Remote Similarity NPC470149
0.6923 Remote Similarity NPC160517
0.6923 Remote Similarity NPC186155
0.6923 Remote Similarity NPC78673
0.6923 Remote Similarity NPC299730
0.6892 Remote Similarity NPC474026
0.6892 Remote Similarity NPC475711
0.6875 Remote Similarity NPC226848
0.6857 Remote Similarity NPC74722
0.6857 Remote Similarity NPC304690
0.6842 Remote Similarity NPC133226
0.6842 Remote Similarity NPC470147
0.6812 Remote Similarity NPC472266
0.6806 Remote Similarity NPC474705
0.68 Remote Similarity NPC477089
0.678 Remote Similarity NPC98284
0.6774 Remote Similarity NPC49059
0.6774 Remote Similarity NPC256209
0.6769 Remote Similarity NPC159650
0.6769 Remote Similarity NPC22897
0.6761 Remote Similarity NPC129630
0.6757 Remote Similarity NPC301525
0.6753 Remote Similarity NPC315731
0.675 Remote Similarity NPC61527
0.6719 Remote Similarity NPC52012
0.6719 Remote Similarity NPC471279
0.6719 Remote Similarity NPC471277
0.6719 Remote Similarity NPC470970
0.6716 Remote Similarity NPC473508
0.6714 Remote Similarity NPC218477
0.6714 Remote Similarity NPC272961
0.6712 Remote Similarity NPC24590
0.6712 Remote Similarity NPC471525
0.6711 Remote Similarity NPC86971
0.6711 Remote Similarity NPC471537
0.6711 Remote Similarity NPC1180
0.6711 Remote Similarity NPC473947
0.6667 Remote Similarity NPC477725
0.6667 Remote Similarity NPC199382
0.6667 Remote Similarity NPC10080
0.6667 Remote Similarity NPC248125
0.6667 Remote Similarity NPC123908
0.6667 Remote Similarity NPC223604
0.6667 Remote Similarity NPC84038
0.6667 Remote Similarity NPC477726
0.6625 Remote Similarity NPC471494
0.6623 Remote Similarity NPC469802
0.6623 Remote Similarity NPC190008
0.662 Remote Similarity NPC475004
0.6579 Remote Similarity NPC474005
0.6579 Remote Similarity NPC137345
0.6579 Remote Similarity NPC181838
0.6575 Remote Similarity NPC16349
0.6575 Remote Similarity NPC222244
0.6571 Remote Similarity NPC163290
0.6567 Remote Similarity NPC325929
0.6567 Remote Similarity NPC271282
0.6567 Remote Similarity NPC66460
0.6562 Remote Similarity NPC161838
0.6562 Remote Similarity NPC475384
0.6562 Remote Similarity NPC470968
0.6562 Remote Similarity NPC477661
0.6562 Remote Similarity NPC471960
0.6562 Remote Similarity NPC473847
0.6562 Remote Similarity NPC470967
0.6562 Remote Similarity NPC470966
0.6562 Remote Similarity NPC470969
0.6552 Remote Similarity NPC76976
0.6538 Remote Similarity NPC471552
0.6538 Remote Similarity NPC473339
0.6538 Remote Similarity NPC471661
0.6533 Remote Similarity NPC229655
0.6522 Remote Similarity NPC182794
0.6522 Remote Similarity NPC308844
0.6522 Remote Similarity NPC282760
0.6515 Remote Similarity NPC475931
0.6506 Remote Similarity NPC133450
0.65 Remote Similarity NPC207815
0.65 Remote Similarity NPC83702
0.6486 Remote Similarity NPC140287
0.6486 Remote Similarity NPC92558
0.6486 Remote Similarity NPC472174
0.6479 Remote Similarity NPC474823
0.6471 Remote Similarity NPC210303
0.6471 Remote Similarity NPC54925
0.6471 Remote Similarity NPC179087
0.6471 Remote Similarity NPC217940
0.6471 Remote Similarity NPC44343
0.6471 Remote Similarity NPC29697
0.6463 Remote Similarity NPC313658
0.6463 Remote Similarity NPC316138
0.6456 Remote Similarity NPC477385
0.6456 Remote Similarity NPC477390
0.6447 Remote Similarity NPC97516
0.6447 Remote Similarity NPC471454
0.6447 Remote Similarity NPC476703
0.6438 Remote Similarity NPC306085
0.6438 Remote Similarity NPC472254
0.6438 Remote Similarity NPC316185
0.6429 Remote Similarity NPC469446
0.6429 Remote Similarity NPC177668
0.6429 Remote Similarity NPC3952
0.6429 Remote Similarity NPC311736
0.6429 Remote Similarity NPC146811
0.642 Remote Similarity NPC120398
0.642 Remote Similarity NPC322529
0.642 Remote Similarity NPC471567
0.6418 Remote Similarity NPC45097
0.6418 Remote Similarity NPC26223
0.6418 Remote Similarity NPC469694
0.641 Remote Similarity NPC474510
0.6406 Remote Similarity NPC473725
0.6406 Remote Similarity NPC473896
0.6406 Remote Similarity NPC281590
0.6406 Remote Similarity NPC473735
0.6406 Remote Similarity NPC475353
0.6406 Remote Similarity NPC473721
0.6406 Remote Similarity NPC473910
0.6406 Remote Similarity NPC52264
0.64 Remote Similarity NPC329826
0.64 Remote Similarity NPC469414
0.64 Remote Similarity NPC93213
0.6389 Remote Similarity NPC470436
0.6389 Remote Similarity NPC16964
0.6389 Remote Similarity NPC151481
0.6389 Remote Similarity NPC329989
0.6389 Remote Similarity NPC317583
0.6389 Remote Similarity NPC239373
0.6386 Remote Similarity NPC280621
0.6386 Remote Similarity NPC20339
0.6386 Remote Similarity NPC40376
0.6386 Remote Similarity NPC48338
0.6386 Remote Similarity NPC233551
0.6386 Remote Similarity NPC21208
0.6377 Remote Similarity NPC308457
0.6377 Remote Similarity NPC148233
0.6377 Remote Similarity NPC34883
0.6377 Remote Similarity NPC25747
0.6375 Remote Similarity NPC253801
0.6375 Remote Similarity NPC318468
0.6375 Remote Similarity NPC474809
0.6375 Remote Similarity NPC170286
0.6375 Remote Similarity NPC475842
0.6375 Remote Similarity NPC106912
0.6375 Remote Similarity NPC2379

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC23418 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
0.6522 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7838 Discovery
0.629 Remote Similarity NPD6927 Phase 3
0.6271 Remote Similarity NPD4265 Approved
0.6235 Remote Similarity NPD46 Approved
0.6235 Remote Similarity NPD6698 Approved
0.6133 Remote Similarity NPD4732 Discontinued
0.6129 Remote Similarity NPD2268 Discontinued
0.6119 Remote Similarity NPD585 Clinical (unspecified phase)
0.6111 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6071 Remote Similarity NPD4250 Approved
0.6071 Remote Similarity NPD4251 Approved
0.6 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6 Remote Similarity NPD7332 Phase 2
0.6 Remote Similarity NPD7514 Phase 3
0.5977 Remote Similarity NPD7983 Approved
0.5976 Remote Similarity NPD6695 Phase 3
0.5976 Remote Similarity NPD7154 Phase 3
0.5974 Remote Similarity NPD8039 Approved
0.5972 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5952 Remote Similarity NPD4249 Approved
0.5949 Remote Similarity NPD4268 Approved
0.5949 Remote Similarity NPD7145 Approved
0.5949 Remote Similarity NPD4271 Approved
0.5942 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6902 Approved
0.5915 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5904 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5875 Remote Similarity NPD6929 Approved
0.587 Remote Similarity NPD6648 Approved
0.5833 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5823 Remote Similarity NPD5776 Phase 2
0.5823 Remote Similarity NPD6925 Approved
0.5823 Remote Similarity NPD6932 Approved
0.5806 Remote Similarity NPD5344 Discontinued
0.5802 Remote Similarity NPD4820 Approved
0.5802 Remote Similarity NPD6931 Approved
0.5802 Remote Similarity NPD6930 Phase 2
0.5802 Remote Similarity NPD4819 Approved
0.5802 Remote Similarity NPD4821 Approved
0.5802 Remote Similarity NPD4822 Approved
0.5783 Remote Similarity NPD5362 Discontinued
0.5781 Remote Similarity NPD29 Approved
0.5781 Remote Similarity NPD28 Approved
0.5775 Remote Similarity NPD3210 Clinical (unspecified phase)
0.5769 Remote Similarity NPD8264 Approved
0.5761 Remote Similarity NPD8029 Clinical (unspecified phase)
0.573 Remote Similarity NPD5778 Approved
0.573 Remote Similarity NPD5779 Approved
0.5714 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5698 Remote Similarity NPD7750 Discontinued
0.5698 Remote Similarity NPD7524 Approved
0.5694 Remote Similarity NPD3197 Phase 1
0.5672 Remote Similarity NPD342 Phase 1
0.5663 Remote Similarity NPD5209 Approved
0.5647 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5634 Remote Similarity NPD368 Approved
0.5634 Remote Similarity NPD6949 Clinical (unspecified phase)
0.5618 Remote Similarity NPD7637 Suspended

Structure

External Identifiers

PubChem CID   11763299
ChEMBL   CHEMBL484423
ZINC  

Physicochemical Properties

Molecular Weight:  544.43
ALogP:  -1.1232
MLogP:  4.1
XLogP:  5.498
# Rotatable Bonds:  35
Polar Surface Area:  64.61
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  38

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Similar NPs/Drugs