Natural Product: NPC472806

Natural Product ID:  NPC472806
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H46O6
Standard InCHIKey:  BATRMLNFDUPFQV-MTFRJUANSA-N
Standard InCHI:  InChI=1S/C30H46O6/c1-26-11-8-21-28(3,13-10-23(34)30(21,5)25(35)36)20(26)7-6-18-17(15-26)14-19(32)24-27(18,2)12-9-22(33)29(24,4)16-31/h14,18,20-24,31,33-34H,6-13,15-16H2,1-5H3,(H,35,36)/t18-,20-,21+,22+,23-,24+,26-,27+,28+,29-,30+/m0/s1
Canonical SMILES:  OC[C@@]1(C)[C@H](O)CC[C@]2([C@H]1C(=O)C=C1[C@@H]2CC[C@H]2[C@@](C1)(C)CC[C@@H]1[C@]2(C)CC[C@@H]([C@]1(C)C(=O)O)O)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 IC50 > 30000 nM 26034885
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 > 10000 nM 14643329
NPT439 Individual Protein Butyrylcholinesterase Homo sapiens IC50 > 30000 nM 17822299

  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 NPC472806 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 NPC167193
0.9889 High Similarity NPC89225
0.9451 High Similarity NPC148523
0.9348 High Similarity NPC98874
0.9213 High Similarity NPC472802
0.9121 High Similarity NPC966
0.9121 High Similarity NPC6255
0.9121 High Similarity NPC233455
0.9121 High Similarity NPC282616
0.9121 High Similarity NPC158030
0.9121 High Similarity NPC4036
0.9121 High Similarity NPC145067
0.9121 High Similarity NPC65120
0.9121 High Similarity NPC288833
0.9121 High Similarity NPC471588
0.9121 High Similarity NPC155120
0.9121 High Similarity NPC324341
0.9121 High Similarity NPC228784
0.9043 High Similarity NPC26413
0.9022 High Similarity NPC214756
0.9022 High Similarity NPC272075
0.9022 High Similarity NPC295643
0.9011 High Similarity NPC86372
0.9011 High Similarity NPC172361
0.9011 High Similarity NPC291028
0.8936 High Similarity NPC132824
0.8925 High Similarity NPC474529
0.8925 High Similarity NPC222047
0.8913 High Similarity NPC105189
0.8901 High Similarity NPC225585
0.8901 High Similarity NPC59263
0.8901 High Similarity NPC293048
0.8901 High Similarity NPC234346
0.8901 High Similarity NPC127689
0.8901 High Similarity NPC130520
0.8901 High Similarity NPC263393
0.8901 High Similarity NPC61543
0.8901 High Similarity NPC270768
0.8901 High Similarity NPC121798
0.8842 High Similarity NPC261935
0.8842 High Similarity NPC106112
0.883 High Similarity NPC139570
0.8817 High Similarity NPC118490
0.8817 High Similarity NPC229281
0.8817 High Similarity NPC298554
0.8804 High Similarity NPC273621
0.8804 High Similarity NPC126369
0.8804 High Similarity NPC193750
0.8804 High Similarity NPC111110
0.8804 High Similarity NPC227467
0.8804 High Similarity NPC477872
0.8804 High Similarity NPC7260
0.8804 High Similarity NPC130278
0.8804 High Similarity NPC18872
0.8804 High Similarity NPC210037
0.8804 High Similarity NPC290614
0.8804 High Similarity NPC470589
0.8804 High Similarity NPC120968
0.8791 High Similarity NPC182797
0.8791 High Similarity NPC52169
0.875 High Similarity NPC174663
0.875 High Similarity NPC111214
0.875 High Similarity NPC471966
0.875 High Similarity NPC271614
0.875 High Similarity NPC29765
0.875 High Similarity NPC164349
0.8737 High Similarity NPC201657
0.8723 High Similarity NPC74751
0.8723 High Similarity NPC209868
0.8723 High Similarity NPC23621
0.8723 High Similarity NPC191412
0.8723 High Similarity NPC6818
0.8723 High Similarity NPC184006
0.8723 High Similarity NPC148964
0.8723 High Similarity NPC78580
0.8723 High Similarity NPC114159
0.871 High Similarity NPC474525
0.871 High Similarity NPC187722
0.871 High Similarity NPC38754
0.8696 High Similarity NPC143232
0.8696 High Similarity NPC274330
0.8696 High Similarity NPC64872
0.8696 High Similarity NPC25906
0.8696 High Similarity NPC198664
0.8696 High Similarity NPC477973
0.8696 High Similarity NPC290972
0.8681 High Similarity NPC173089
0.8681 High Similarity NPC242468
0.8681 High Similarity NPC293564
0.8681 High Similarity NPC18064
0.8681 High Similarity NPC158141
0.8681 High Similarity NPC68160
0.8681 High Similarity NPC98442
0.8681 High Similarity NPC102683
0.8681 High Similarity NPC51700
0.8681 High Similarity NPC88716
0.8681 High Similarity NPC130577
0.8681 High Similarity NPC171203
0.8681 High Similarity NPC307426
0.8681 High Similarity NPC142415
0.8673 High Similarity NPC476890
0.866 High Similarity NPC35239
0.8646 High Similarity NPC187933
0.8632 High Similarity NPC195715
0.8632 High Similarity NPC88310
0.8632 High Similarity NPC23241
0.8617 High Similarity NPC86368
0.8617 High Similarity NPC118519
0.8617 High Similarity NPC202728
0.8617 High Similarity NPC158059
0.8602 High Similarity NPC46441
0.8587 High Similarity NPC17733
0.8587 High Similarity NPC181225
0.8587 High Similarity NPC246708
0.8587 High Similarity NPC470629
0.8587 High Similarity NPC290690
0.8587 High Similarity NPC474511
0.8587 High Similarity NPC473242
0.8587 High Similarity NPC474512
0.8587 High Similarity NPC40552
0.8587 High Similarity NPC1753
0.8586 High Similarity NPC476889
0.8586 High Similarity NPC478057
0.8586 High Similarity NPC95899
0.8571 High Similarity NPC213412
0.8571 High Similarity NPC73038
0.8571 High Similarity NPC93744
0.8571 High Similarity NPC158393
0.8571 High Similarity NPC476888
0.8571 High Similarity NPC475862
0.8571 High Similarity NPC74363
0.8571 High Similarity NPC72638
0.8557 High Similarity NPC478056
0.8557 High Similarity NPC188833
0.8542 High Similarity NPC62516
0.8542 High Similarity NPC116457
0.8542 High Similarity NPC204961
0.8542 High Similarity NPC157113
0.8542 High Similarity NPC471153
0.8542 High Similarity NPC73004
0.8542 High Similarity NPC173744
0.8526 High Similarity NPC159365
0.8526 High Similarity NPC88116
0.8526 High Similarity NPC32407
0.8526 High Similarity NPC80365
0.8526 High Similarity NPC282395
0.8526 High Similarity NPC231063
0.8526 High Similarity NPC145667
0.8526 High Similarity NPC263548
0.8526 High Similarity NPC299996
0.8526 High Similarity NPC20235
0.8511 High Similarity NPC25299
0.8511 High Similarity NPC475708
0.8511 High Similarity NPC306541
0.8511 High Similarity NPC86266
0.8511 High Similarity NPC52021
0.8511 High Similarity NPC110657
0.8511 High Similarity NPC235704
0.8511 High Similarity NPC212301
0.8511 High Similarity NPC71074
0.8511 High Similarity NPC300351
0.8511 High Similarity NPC235884
0.8511 High Similarity NPC84319
0.8511 High Similarity NPC472149
0.8495 Intermediate Similarity NPC475921
0.8495 Intermediate Similarity NPC161751
0.8495 Intermediate Similarity NPC470588
0.8495 Intermediate Similarity NPC474704
0.8495 Intermediate Similarity NPC474972
0.8495 Intermediate Similarity NPC95246
0.8495 Intermediate Similarity NPC69627
0.8485 Intermediate Similarity NPC40918
0.8478 Intermediate Similarity NPC73064
0.8478 Intermediate Similarity NPC71507
0.8469 Intermediate Similarity NPC475385
0.8469 Intermediate Similarity NPC475202
0.8469 Intermediate Similarity NPC475392
0.8462 Intermediate Similarity NPC133954
0.8454 Intermediate Similarity NPC9613
0.8454 Intermediate Similarity NPC21728
0.8454 Intermediate Similarity NPC247139
0.8438 Intermediate Similarity NPC139459
0.8438 Intermediate Similarity NPC96916
0.8438 Intermediate Similarity NPC32118
0.8438 Intermediate Similarity NPC83693
0.8427 Intermediate Similarity NPC471898
0.8421 Intermediate Similarity NPC275809
0.8421 Intermediate Similarity NPC74855
0.8421 Intermediate Similarity NPC49776
0.8421 Intermediate Similarity NPC170220
0.8421 Intermediate Similarity NPC136313
0.8421 Intermediate Similarity NPC141497
0.8421 Intermediate Similarity NPC107674
0.8421 Intermediate Similarity NPC307335
0.8421 Intermediate Similarity NPC474806
0.8421 Intermediate Similarity NPC474436
0.8421 Intermediate Similarity NPC133579
0.8421 Intermediate Similarity NPC63118
0.8404 Intermediate Similarity NPC49320
0.8404 Intermediate Similarity NPC85173

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472806 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
0.9121 High Similarity NPD7515 Phase 2
0.8723 High Similarity NPD7748 Approved
0.8646 High Similarity NPD7902 Approved
0.837 Intermediate Similarity NPD3618 Phase 1
0.8333 Intermediate Similarity NPD7900 Approved
0.8333 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8105 Intermediate Similarity NPD5328 Approved
0.7938 Intermediate Similarity NPD6079 Approved
0.7885 Intermediate Similarity NPD6402 Approved
0.7885 Intermediate Similarity NPD5739 Approved
0.7885 Intermediate Similarity NPD7128 Approved
0.7885 Intermediate Similarity NPD6675 Approved
0.7872 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD6399 Phase 3
0.783 Intermediate Similarity NPD6373 Approved
0.783 Intermediate Similarity NPD6372 Approved
0.7818 Intermediate Similarity NPD7115 Discovery
0.7812 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD4697 Phase 3
0.7789 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7766 Intermediate Similarity NPD3133 Approved
0.7766 Intermediate Similarity NPD3666 Approved
0.7766 Intermediate Similarity NPD4786 Approved
0.7766 Intermediate Similarity NPD3665 Phase 1
0.7742 Intermediate Similarity NPD3667 Approved
0.7736 Intermediate Similarity NPD7320 Approved
0.7736 Intermediate Similarity NPD6881 Approved
0.7736 Intermediate Similarity NPD6899 Approved
0.7732 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7723 Intermediate Similarity NPD6083 Phase 2
0.7723 Intermediate Similarity NPD4755 Approved
0.7723 Intermediate Similarity NPD6084 Phase 2
0.7685 Intermediate Similarity NPD6649 Approved
0.7685 Intermediate Similarity NPD6650 Approved
0.7677 Intermediate Similarity NPD4202 Approved
0.7647 Intermediate Similarity NPD7638 Approved
0.7642 Intermediate Similarity NPD5697 Approved
0.7642 Intermediate Similarity NPD5701 Approved
0.7624 Intermediate Similarity NPD5221 Approved
0.7624 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7624 Intermediate Similarity NPD5222 Approved
0.7609 Intermediate Similarity NPD7645 Phase 2
0.7604 Intermediate Similarity NPD6409 Approved
0.7604 Intermediate Similarity NPD5330 Approved
0.7604 Intermediate Similarity NPD6684 Approved
0.7604 Intermediate Similarity NPD7521 Approved
0.7604 Intermediate Similarity NPD7334 Approved
0.7604 Intermediate Similarity NPD7146 Approved
0.7593 Intermediate Similarity NPD7290 Approved
0.7593 Intermediate Similarity NPD7102 Approved
0.7593 Intermediate Similarity NPD6883 Approved
0.7576 Intermediate Similarity NPD8034 Phase 2
0.7576 Intermediate Similarity NPD8035 Phase 2
0.7576 Intermediate Similarity NPD6411 Approved
0.7573 Intermediate Similarity NPD7640 Approved
0.7573 Intermediate Similarity NPD7639 Approved
0.7573 Intermediate Similarity NPD5285 Approved
0.7573 Intermediate Similarity NPD5286 Approved
0.7573 Intermediate Similarity NPD4700 Approved
0.7573 Intermediate Similarity NPD4696 Approved
0.7565 Intermediate Similarity NPD8328 Phase 3
0.7551 Intermediate Similarity NPD4753 Phase 2
0.7549 Intermediate Similarity NPD5173 Approved
0.7526 Intermediate Similarity NPD3573 Approved
0.7523 Intermediate Similarity NPD8130 Phase 1
0.7523 Intermediate Similarity NPD6617 Approved
0.7523 Intermediate Similarity NPD6869 Approved
0.7523 Intermediate Similarity NPD6847 Approved
0.75 Intermediate Similarity NPD6012 Approved
0.75 Intermediate Similarity NPD6014 Approved
0.75 Intermediate Similarity NPD6013 Approved
0.7476 Intermediate Similarity NPD5696 Approved
0.7476 Intermediate Similarity NPD4225 Approved
0.7455 Intermediate Similarity NPD8297 Approved
0.7455 Intermediate Similarity NPD6882 Approved
0.7449 Intermediate Similarity NPD6903 Approved
0.7449 Intermediate Similarity NPD5737 Approved
0.7449 Intermediate Similarity NPD6672 Approved
0.7429 Intermediate Similarity NPD4633 Approved
0.7429 Intermediate Similarity NPD5225 Approved
0.7429 Intermediate Similarity NPD5224 Approved
0.7429 Intermediate Similarity NPD5226 Approved
0.7429 Intermediate Similarity NPD5211 Phase 2
0.7407 Intermediate Similarity NPD6011 Approved
0.7374 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD6101 Approved
0.7364 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD5175 Approved
0.7358 Intermediate Similarity NPD5174 Approved
0.7353 Intermediate Similarity NPD4629 Approved
0.7353 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD5695 Phase 3
0.7353 Intermediate Similarity NPD5210 Approved
0.734 Intermediate Similarity NPD4695 Discontinued
0.7333 Intermediate Similarity NPD5223 Approved
0.729 Intermediate Similarity NPD5141 Approved
0.7282 Intermediate Similarity NPD7614 Phase 1
0.7273 Intermediate Similarity NPD4634 Approved
0.7245 Intermediate Similarity NPD5279 Phase 3
0.7228 Intermediate Similarity NPD5281 Approved
0.7228 Intermediate Similarity NPD5284 Approved
0.7222 Intermediate Similarity NPD4767 Approved
0.7222 Intermediate Similarity NPD4768 Approved
0.7216 Intermediate Similarity NPD3668 Phase 3
0.7196 Intermediate Similarity NPD4754 Approved
0.7188 Intermediate Similarity NPD4223 Phase 3
0.7188 Intermediate Similarity NPD4221 Approved
0.7182 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD7736 Approved
0.7158 Intermediate Similarity NPD7525 Registered
0.7156 Intermediate Similarity NPD6412 Phase 2
0.7155 Intermediate Similarity NPD6319 Approved
0.7143 Intermediate Similarity NPD5329 Approved
0.7105 Intermediate Similarity NPD6274 Approved
0.7105 Intermediate Similarity NPD6868 Approved
0.7097 Intermediate Similarity NPD6117 Approved
0.7091 Intermediate Similarity NPD4729 Approved
0.7091 Intermediate Similarity NPD5128 Approved
0.7091 Intermediate Similarity NPD4730 Approved
0.708 Intermediate Similarity NPD4632 Approved
0.7069 Intermediate Similarity NPD7100 Approved
0.7069 Intermediate Similarity NPD7101 Approved
0.7064 Intermediate Similarity NPD6008 Approved
0.7059 Intermediate Similarity NPD7492 Approved
0.7043 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD4197 Approved
0.703 Intermediate Similarity NPD6673 Approved
0.703 Intermediate Similarity NPD6904 Approved
0.703 Intermediate Similarity NPD6080 Approved
0.7021 Intermediate Similarity NPD6116 Phase 1
0.7019 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6054 Approved
0.7009 Intermediate Similarity NPD6059 Approved
0.7 Intermediate Similarity NPD6616 Approved
0.699 Remote Similarity NPD5779 Approved
0.699 Remote Similarity NPD5778 Approved
0.6983 Remote Similarity NPD6335 Approved
0.697 Remote Similarity NPD1694 Approved
0.6964 Remote Similarity NPD5247 Approved
0.6964 Remote Similarity NPD5248 Approved
0.6964 Remote Similarity NPD5250 Approved
0.6964 Remote Similarity NPD5249 Phase 3
0.6964 Remote Similarity NPD5251 Approved
0.6952 Remote Similarity NPD7732 Phase 3
0.6949 Remote Similarity NPD6908 Approved
0.6949 Remote Similarity NPD6909 Approved
0.6947 Remote Similarity NPD6115 Approved
0.6947 Remote Similarity NPD6114 Approved
0.6947 Remote Similarity NPD6697 Approved
0.6947 Remote Similarity NPD3617 Approved
0.6947 Remote Similarity NPD6118 Approved
0.6944 Remote Similarity NPD7632 Discontinued
0.6942 Remote Similarity NPD7078 Approved
0.6942 Remote Similarity NPD8293 Discontinued
0.6939 Remote Similarity NPD4788 Approved
0.6937 Remote Similarity NPD5168 Approved
0.6937 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6001 Approved
0.6903 Remote Similarity NPD5217 Approved
0.6903 Remote Similarity NPD5216 Approved
0.6903 Remote Similarity NPD5215 Approved
0.69 Remote Similarity NPD4689 Approved
0.69 Remote Similarity NPD4519 Discontinued
0.69 Remote Similarity NPD4693 Phase 3
0.69 Remote Similarity NPD4138 Approved
0.69 Remote Similarity NPD5205 Approved
0.69 Remote Similarity NPD4688 Approved
0.69 Remote Similarity NPD4623 Approved
0.69 Remote Similarity NPD4690 Approved
0.6897 Remote Similarity NPD6009 Approved
0.6897 Remote Similarity NPD6317 Approved
0.6891 Remote Similarity NPD6370 Approved
0.6882 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6838 Remote Similarity NPD6313 Approved
0.6838 Remote Similarity NPD6314 Approved
0.6837 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7319 Approved
0.6814 Remote Similarity NPD5135 Approved
0.6814 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6814 Remote Similarity NPD5169 Approved
0.6814 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6809 Remote Similarity NPD7339 Approved
0.6809 Remote Similarity NPD6942 Approved
0.6807 Remote Similarity NPD6016 Approved
0.6807 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6807 Remote Similarity NPD6015 Approved
0.6804 Remote Similarity NPD8259 Clinical (unspecified phase)
0.68 Remote Similarity NPD5363 Approved
0.6796 Remote Similarity NPD5785 Approved
0.6786 Remote Similarity NPD6686 Approved
0.6765 Remote Similarity NPD5208 Approved
0.6754 Remote Similarity NPD5127 Approved
0.675 Remote Similarity NPD5988 Approved
0.6737 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6735 Remote Similarity NPD5369 Approved
0.6733 Remote Similarity NPD4694 Approved
0.6733 Remote Similarity NPD5690 Phase 2
0.6733 Remote Similarity NPD6098 Approved
0.6733 Remote Similarity NPD5280 Approved

Structure

External Identifiers

PubChem CID   44604353
ChEMBL   CHEMBL3586202
ZINC  

Physicochemical Properties

Molecular Weight:  502.33
ALogP:  -0.1504
MLogP:  4.1
XLogP:  5.602
# Rotatable Bonds:  11
Polar Surface Area:  115.06
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  36

Download Data

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