Natural Product: NPC74639

Natural Product ID:  NPC74639
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C34H56O5
Standard InCHIKey:  XCPGTDNRNMDRGQ-HYOWRBRKSA-N
Standard InCHI:  InChI=1S/C34H56O5/c1-21(35)38-27-14-17-32(8)23(29(27,3)4)12-16-31(7)20-34(37)19-13-24-30(5,6)28(39-22(2)36)15-18-33(24,9)26(34)11-10-25(31)32/h23-28,37H,10-20H2,1-9H3/t23-,24-,25-,26+,27-,28-,31-,32-,33-,34-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@](C1)(O)CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)OC(=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
NPO33505 lycopodiella cernua Species Lycopodiaceae Eukaryota PMID[26003344]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens Ki = 2490 nM 15711537
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 910 nM 26034885
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 > 10000 nM 7996553
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens IC50 > 30000 nM 12502328

  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 NPC74639 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
0.88 High Similarity NPC220379
0.8667 High Similarity NPC243594
0.8667 High Similarity NPC31031
0.8571 High Similarity NPC476928
0.8571 High Similarity NPC73515
0.8551 High Similarity NPC80463
0.8533 High Similarity NPC212453
0.8442 Intermediate Similarity NPC261616
0.8101 Intermediate Similarity NPC280781
0.8101 Intermediate Similarity NPC48756
0.8101 Intermediate Similarity NPC190940
0.8077 Intermediate Similarity NPC476176
0.8077 Intermediate Similarity NPC73013
0.8028 Intermediate Similarity NPC260116
0.8 Intermediate Similarity NPC2096
0.8 Intermediate Similarity NPC61107
0.8 Intermediate Similarity NPC286719
0.8 Intermediate Similarity NPC208912
0.8 Intermediate Similarity NPC289486
0.8 Intermediate Similarity NPC477286
0.7971 Intermediate Similarity NPC204173
0.7949 Intermediate Similarity NPC472608
0.7949 Intermediate Similarity NPC471045
0.7927 Intermediate Similarity NPC131350
0.7901 Intermediate Similarity NPC111582
0.7901 Intermediate Similarity NPC475820
0.7901 Intermediate Similarity NPC477285
0.7901 Intermediate Similarity NPC213737
0.7901 Intermediate Similarity NPC474284
0.7901 Intermediate Similarity NPC474346
0.7901 Intermediate Similarity NPC474253
0.7901 Intermediate Similarity NPC5280
0.7895 Intermediate Similarity NPC272359
0.7875 Intermediate Similarity NPC476071
0.7875 Intermediate Similarity NPC474870
0.7875 Intermediate Similarity NPC271572
0.7867 Intermediate Similarity NPC100586
0.7867 Intermediate Similarity NPC157422
0.7867 Intermediate Similarity NPC109457
0.7867 Intermediate Similarity NPC478227
0.7838 Intermediate Similarity NPC178541
0.7831 Intermediate Similarity NPC168231
0.7821 Intermediate Similarity NPC171658
0.7821 Intermediate Similarity NPC143133
0.7821 Intermediate Similarity NPC298168
0.7821 Intermediate Similarity NPC84868
0.7808 Intermediate Similarity NPC48079
0.7808 Intermediate Similarity NPC41542
0.7805 Intermediate Similarity NPC473299
0.7805 Intermediate Similarity NPC219535
0.7805 Intermediate Similarity NPC237938
0.7792 Intermediate Similarity NPC186851
0.7778 Intermediate Similarity NPC60018
0.7778 Intermediate Similarity NPC154043
0.7778 Intermediate Similarity NPC202688
0.7763 Intermediate Similarity NPC253805
0.775 Intermediate Similarity NPC206735
0.775 Intermediate Similarity NPC304194
0.775 Intermediate Similarity NPC475456
0.7746 Intermediate Similarity NPC290791
0.7746 Intermediate Similarity NPC292419
0.7733 Intermediate Similarity NPC282454
0.7733 Intermediate Similarity NPC192192
0.7722 Intermediate Similarity NPC26029
0.7711 Intermediate Similarity NPC62572
0.7711 Intermediate Similarity NPC191965
0.7703 Intermediate Similarity NPC475893
0.7703 Intermediate Similarity NPC472741
0.7692 Intermediate Similarity NPC4209
0.7671 Intermediate Similarity NPC142712
0.7662 Intermediate Similarity NPC477508
0.7654 Intermediate Similarity NPC476494
0.7654 Intermediate Similarity NPC58631
0.7647 Intermediate Similarity NPC4309
0.7632 Intermediate Similarity NPC127094
0.7632 Intermediate Similarity NPC473279
0.7625 Intermediate Similarity NPC201276
0.7625 Intermediate Similarity NPC305835
0.7625 Intermediate Similarity NPC80891
0.7625 Intermediate Similarity NPC477287
0.7619 Intermediate Similarity NPC215968
0.7619 Intermediate Similarity NPC84121
0.7619 Intermediate Similarity NPC155531
0.7619 Intermediate Similarity NPC137306
0.7619 Intermediate Similarity NPC103782
0.7619 Intermediate Similarity NPC83242
0.7619 Intermediate Similarity NPC114378
0.7619 Intermediate Similarity NPC477283
0.76 Intermediate Similarity NPC129829
0.76 Intermediate Similarity NPC254037
0.7595 Intermediate Similarity NPC317913
0.7595 Intermediate Similarity NPC207010
0.759 Intermediate Similarity NPC319909
0.7568 Intermediate Similarity NPC204233
0.7564 Intermediate Similarity NPC478105
0.7564 Intermediate Similarity NPC212733
0.7561 Intermediate Similarity NPC286786
0.7561 Intermediate Similarity NPC30583
0.7558 Intermediate Similarity NPC30522
0.7536 Intermediate Similarity NPC135438
0.7534 Intermediate Similarity NPC19311
0.7534 Intermediate Similarity NPC230047
0.7532 Intermediate Similarity NPC475230
0.7532 Intermediate Similarity NPC81759
0.7532 Intermediate Similarity NPC282905
0.7532 Intermediate Similarity NPC68426
0.7532 Intermediate Similarity NPC477229
0.7531 Intermediate Similarity NPC472943
0.7531 Intermediate Similarity NPC474714
0.7531 Intermediate Similarity NPC472951
0.7529 Intermediate Similarity NPC252714
0.75 Intermediate Similarity NPC477577
0.75 Intermediate Similarity NPC164424
0.75 Intermediate Similarity NPC171426
0.75 Intermediate Similarity NPC324700
0.75 Intermediate Similarity NPC231945
0.75 Intermediate Similarity NPC224802
0.75 Intermediate Similarity NPC34046
0.75 Intermediate Similarity NPC266651
0.75 Intermediate Similarity NPC80089
0.7471 Intermediate Similarity NPC475211
0.7471 Intermediate Similarity NPC120840
0.7471 Intermediate Similarity NPC88337
0.7471 Intermediate Similarity NPC185529
0.7471 Intermediate Similarity NPC113989
0.7471 Intermediate Similarity NPC472146
0.747 Intermediate Similarity NPC269684
0.747 Intermediate Similarity NPC473742
0.747 Intermediate Similarity NPC132386
0.7468 Intermediate Similarity NPC108840
0.7467 Intermediate Similarity NPC469987
0.7442 Intermediate Similarity NPC56777
0.7442 Intermediate Similarity NPC3032
0.7442 Intermediate Similarity NPC473319
0.7442 Intermediate Similarity NPC131104
0.7442 Intermediate Similarity NPC201607
0.7439 Intermediate Similarity NPC12933
0.7439 Intermediate Similarity NPC50658
0.7439 Intermediate Similarity NPC195334
0.7439 Intermediate Similarity NPC290495
0.7439 Intermediate Similarity NPC470154
0.7436 Intermediate Similarity NPC472945
0.7436 Intermediate Similarity NPC159325
0.7436 Intermediate Similarity NPC280026
0.7436 Intermediate Similarity NPC167702
0.7436 Intermediate Similarity NPC168511
0.7436 Intermediate Similarity NPC472944
0.7416 Intermediate Similarity NPC215700
0.7407 Intermediate Similarity NPC320144
0.7403 Intermediate Similarity NPC470071
0.7403 Intermediate Similarity NPC187471
0.7403 Intermediate Similarity NPC1340
0.7403 Intermediate Similarity NPC157777
0.7403 Intermediate Similarity NPC469940
0.7403 Intermediate Similarity NPC195530
0.7403 Intermediate Similarity NPC131506
0.7403 Intermediate Similarity NPC252182
0.7386 Intermediate Similarity NPC470590
0.7386 Intermediate Similarity NPC471901
0.7386 Intermediate Similarity NPC77099
0.7386 Intermediate Similarity NPC60755
0.7386 Intermediate Similarity NPC285184
0.7386 Intermediate Similarity NPC160506
0.7381 Intermediate Similarity NPC25037
0.7381 Intermediate Similarity NPC473336
0.7381 Intermediate Similarity NPC299963
0.7381 Intermediate Similarity NPC34984
0.7381 Intermediate Similarity NPC471044
0.7381 Intermediate Similarity NPC105895
0.7375 Intermediate Similarity NPC23884
0.7375 Intermediate Similarity NPC112463
0.7375 Intermediate Similarity NPC307865
0.7368 Intermediate Similarity NPC66407
0.7368 Intermediate Similarity NPC470833
0.7368 Intermediate Similarity NPC107919
0.7356 Intermediate Similarity NPC67653
0.7356 Intermediate Similarity NPC471459
0.7349 Intermediate Similarity NPC477284
0.7349 Intermediate Similarity NPC477446
0.7349 Intermediate Similarity NPC470155
0.7349 Intermediate Similarity NPC477447
0.7349 Intermediate Similarity NPC472504
0.7342 Intermediate Similarity NPC195155
0.7342 Intermediate Similarity NPC97534
0.7342 Intermediate Similarity NPC174964
0.7342 Intermediate Similarity NPC267753
0.7342 Intermediate Similarity NPC179858
0.7326 Intermediate Similarity NPC33768
0.7308 Intermediate Similarity NPC109510
0.7308 Intermediate Similarity NPC472341
0.7308 Intermediate Similarity NPC473238
0.7303 Intermediate Similarity NPC473690
0.7303 Intermediate Similarity NPC86368
0.7303 Intermediate Similarity NPC472147
0.7303 Intermediate Similarity NPC472148
0.7303 Intermediate Similarity NPC287118
0.7303 Intermediate Similarity NPC471902
0.7294 Intermediate Similarity NPC98270
0.7294 Intermediate Similarity NPC474572
0.7286 Intermediate Similarity NPC236588

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC74639 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
0.7692 Intermediate Similarity NPD6117 Approved
0.7595 Intermediate Similarity NPD6116 Phase 1
0.75 Intermediate Similarity NPD6114 Approved
0.75 Intermediate Similarity NPD6118 Approved
0.75 Intermediate Similarity NPD6115 Approved
0.75 Intermediate Similarity NPD6697 Approved
0.7436 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD8034 Phase 2
0.7386 Intermediate Similarity NPD8035 Phase 2
0.7368 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7748 Approved
0.7093 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7902 Approved
0.6962 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6962 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6962 Remote Similarity NPD5777 Approved
0.6923 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6923 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6914 Remote Similarity NPD3702 Approved
0.6835 Remote Similarity NPD4787 Phase 1
0.6813 Remote Similarity NPD7515 Phase 2
0.6795 Remote Similarity NPD5360 Phase 3
0.6795 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7645 Phase 2
0.6753 Remote Similarity NPD4224 Phase 2
0.675 Remote Similarity NPD6081 Approved
0.6707 Remote Similarity NPD3703 Phase 2
0.6706 Remote Similarity NPD6928 Phase 2
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7900 Approved
0.6625 Remote Similarity NPD4244 Approved
0.6625 Remote Similarity NPD4245 Approved
0.6512 Remote Similarity NPD7525 Registered
0.65 Remote Similarity NPD3698 Phase 2
0.6477 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6477 Remote Similarity NPD3669 Approved
0.642 Remote Similarity NPD4789 Approved
0.6392 Remote Similarity NPD7638 Approved
0.6341 Remote Similarity NPD4758 Discontinued
0.6327 Remote Similarity NPD7640 Approved
0.6327 Remote Similarity NPD7639 Approved
0.6279 Remote Similarity NPD3671 Phase 1
0.6279 Remote Similarity NPD5364 Discontinued
0.6211 Remote Similarity NPD8171 Discontinued
0.6211 Remote Similarity NPD6399 Phase 3
0.6203 Remote Similarity NPD3171 Clinical (unspecified phase)
0.62 Remote Similarity NPD7632 Discontinued
0.619 Remote Similarity NPD1811 Approved
0.619 Remote Similarity NPD1810 Approved
0.6163 Remote Similarity NPD8143 Approved
0.6163 Remote Similarity NPD8144 Approved
0.6162 Remote Similarity NPD8418 Phase 2
0.6087 Remote Similarity NPD384 Approved
0.6087 Remote Similarity NPD385 Approved
0.6076 Remote Similarity NPD371 Approved
0.6024 Remote Similarity NPD2254 Approved
0.6024 Remote Similarity NPD2686 Approved
0.6024 Remote Similarity NPD2687 Approved
0.6019 Remote Similarity NPD5739 Approved
0.6019 Remote Similarity NPD6675 Approved
0.6019 Remote Similarity NPD7128 Approved
0.6019 Remote Similarity NPD6402 Approved
0.6 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5962 Remote Similarity NPD7646 Clinical (unspecified phase)
0.5957 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5946 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5926 Remote Similarity NPD8133 Approved
0.5922 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5918 Remote Similarity NPD7991 Discontinued
0.5909 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5905 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5905 Remote Similarity NPD6881 Approved
0.5905 Remote Similarity NPD6899 Approved
0.5905 Remote Similarity NPD7320 Approved
0.5895 Remote Similarity NPD6051 Approved
0.5889 Remote Similarity NPD1780 Approved
0.5889 Remote Similarity NPD1779 Approved
0.5888 Remote Similarity NPD8130 Phase 1
0.5851 Remote Similarity NPD3573 Approved
0.5849 Remote Similarity NPD6372 Approved
0.5849 Remote Similarity NPD6373 Approved
0.5833 Remote Similarity NPD8297 Approved
0.5833 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5825 Remote Similarity NPD7986 Approved
0.5825 Remote Similarity NPD7912 Approved
0.5825 Remote Similarity NPD7911 Approved
0.5825 Remote Similarity NPD7987 Approved
0.581 Remote Similarity NPD5701 Approved
0.581 Remote Similarity NPD5697 Approved
0.58 Remote Similarity NPD6084 Phase 2
0.58 Remote Similarity NPD6083 Phase 2
0.5794 Remote Similarity NPD6883 Approved
0.5794 Remote Similarity NPD7290 Approved
0.5794 Remote Similarity NPD7102 Approved
0.5761 Remote Similarity NPD4788 Approved
0.5755 Remote Similarity NPD6011 Approved
0.5752 Remote Similarity NPD8377 Approved
0.5752 Remote Similarity NPD8294 Approved
0.5747 Remote Similarity NPD6942 Approved
0.5747 Remote Similarity NPD7339 Approved
0.5745 Remote Similarity NPD7521 Approved
0.5745 Remote Similarity NPD6684 Approved
0.5745 Remote Similarity NPD5330 Approved
0.5745 Remote Similarity NPD8308 Discontinued
0.5745 Remote Similarity NPD3618 Phase 1
0.5745 Remote Similarity NPD7334 Approved
0.5745 Remote Similarity NPD6409 Approved
0.5745 Remote Similarity NPD7146 Approved
0.5743 Remote Similarity NPD4225 Approved
0.5741 Remote Similarity NPD6617 Approved
0.5741 Remote Similarity NPD6650 Approved
0.5741 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5741 Remote Similarity NPD6869 Approved
0.5741 Remote Similarity NPD6649 Approved
0.5741 Remote Similarity NPD6847 Approved
0.5729 Remote Similarity NPD5328 Approved
0.5729 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7328 Approved
0.5714 Remote Similarity NPD388 Approved
0.5714 Remote Similarity NPD8040 Discontinued
0.5714 Remote Similarity NPD386 Approved
0.5714 Remote Similarity NPD6920 Discontinued
0.5714 Remote Similarity NPD7327 Approved
0.5702 Remote Similarity NPD8033 Approved
0.5702 Remote Similarity NPD8380 Approved
0.5702 Remote Similarity NPD8296 Approved
0.5702 Remote Similarity NPD8379 Approved
0.5702 Remote Similarity NPD8378 Approved
0.5702 Remote Similarity NPD8335 Approved
0.5701 Remote Similarity NPD6013 Approved
0.5701 Remote Similarity NPD6014 Approved
0.5701 Remote Similarity NPD6012 Approved
0.5701 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5699 Remote Similarity NPD4786 Approved
0.5688 Remote Similarity NPD6882 Approved
0.5682 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5679 Remote Similarity NPD7909 Approved
0.5676 Remote Similarity NPD7754 Approved
0.5676 Remote Similarity NPD7755 Approved
0.567 Remote Similarity NPD6701 Clinical (unspecified phase)
0.567 Remote Similarity NPD6700 Approved
0.5664 Remote Similarity NPD7516 Approved
0.566 Remote Similarity NPD7989 Approved
0.566 Remote Similarity NPD7990 Approved
0.5652 Remote Similarity NPD3667 Approved
0.5648 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5625 Remote Similarity NPD6672 Approved
0.5625 Remote Similarity NPD7115 Discovery
0.5625 Remote Similarity NPD6903 Approved
0.5625 Remote Similarity NPD5737 Approved
0.5612 Remote Similarity NPD6702 Approved
0.5612 Remote Similarity NPD6079 Approved
0.5612 Remote Similarity NPD6411 Approved
0.5612 Remote Similarity NPD6703 Approved
0.5604 Remote Similarity NPD4748 Discontinued
0.5603 Remote Similarity NPD8328 Phase 3
0.56 Remote Similarity NPD5695 Phase 3
0.56 Remote Similarity NPD6356 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3586199
ZINC  

Physicochemical Properties

Molecular Weight:  544.41
ALogP:  2.42
MLogP:  4.65
XLogP:  9.153
# Rotatable Bonds:  14
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  39

Download Data

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