Natural Product: NPC38426

Natural Product ID:  NPC38426
Common Name:   Trogopteroid B
IUPAC Name:   (4aS,4bR,7S,8aR,10aR)-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,8,9,10,10a-octahydrophenanthrene-2,6-dione
Synonyms:   Trogopteroid B
Molecular Formula:   C20H30O3
Standard InCHIKey:  VMAUZLFMLAPDJU-VCCNMJPESA-N
Standard InCHI:  InChI=1S/C20H30O3/c1-6-18(4)12-20(23)10-7-13-17(2,3)15(21)8-9-19(13,5)14(20)11-16(18)22/h6,13-14,23H,1,7-12H2,2-5H3/t13-,14+,18+,19-,20+/m0/s1
Canonical SMILES:  C=C[C@]1(C)C[C@]2(O)CC[C@@H]3[C@]([C@H]2CC1=O)(C)CCC(=O)C3(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
NPO882 Trogopterus xanthipes Species Sciuridae Eukaryota Faeces PMID[20402524]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 > 40000 nM 3755758
NPT15 Cell Line Jurkat Homo sapiens IC50 > 40000 nM DrugMatrix in vivo data: Hematology
NPT466 Cell Line U-937 Homo sapiens IC50 > 40000 nM Open TG-GATES in vivo data: Hematology
NPT65 Cell Line HepG2 Homo sapiens IC50 > 40000 nM 8350085

  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 NPC38426 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
0.971 High Similarity NPC162164
0.9167 High Similarity NPC104806
0.9041 High Similarity NPC472746
0.8933 High Similarity NPC469637
0.8571 High Similarity NPC473217
0.8472 Intermediate Similarity NPC163020
0.8442 Intermediate Similarity NPC476809
0.8429 Intermediate Similarity NPC103734
0.84 Intermediate Similarity NPC198473
0.8375 Intermediate Similarity NPC224345
0.8333 Intermediate Similarity NPC48673
0.8333 Intermediate Similarity NPC20096
0.8243 Intermediate Similarity NPC177826
0.8194 Intermediate Similarity NPC2648
0.8171 Intermediate Similarity NPC471792
0.8133 Intermediate Similarity NPC255168
0.8101 Intermediate Similarity NPC328264
0.8082 Intermediate Similarity NPC210323
0.8077 Intermediate Similarity NPC215843
0.8077 Intermediate Similarity NPC474113
0.8056 Intermediate Similarity NPC263161
0.8049 Intermediate Similarity NPC74363
0.8049 Intermediate Similarity NPC475862
0.8026 Intermediate Similarity NPC201027
0.8025 Intermediate Similarity NPC475745
0.8025 Intermediate Similarity NPC146683
0.8025 Intermediate Similarity NPC474482
0.8025 Intermediate Similarity NPC251170
0.7952 Intermediate Similarity NPC73064
0.7949 Intermediate Similarity NPC476808
0.7927 Intermediate Similarity NPC133954
0.7922 Intermediate Similarity NPC186554
0.7922 Intermediate Similarity NPC76966
0.7901 Intermediate Similarity NPC471036
0.7901 Intermediate Similarity NPC291320
0.7901 Intermediate Similarity NPC475726
0.7901 Intermediate Similarity NPC118800
0.7901 Intermediate Similarity NPC472743
0.7895 Intermediate Similarity NPC22134
0.7895 Intermediate Similarity NPC46610
0.7895 Intermediate Similarity NPC18819
0.7875 Intermediate Similarity NPC164210
0.7867 Intermediate Similarity NPC89310
0.7867 Intermediate Similarity NPC247195
0.7857 Intermediate Similarity NPC472802
0.7857 Intermediate Similarity NPC474677
0.7857 Intermediate Similarity NPC471791
0.7857 Intermediate Similarity NPC48107
0.7857 Intermediate Similarity NPC471793
0.7857 Intermediate Similarity NPC193360
0.7848 Intermediate Similarity NPC231431
0.7831 Intermediate Similarity NPC213412
0.7831 Intermediate Similarity NPC472738
0.7821 Intermediate Similarity NPC471035
0.7821 Intermediate Similarity NPC257666
0.7821 Intermediate Similarity NPC212661
0.7821 Intermediate Similarity NPC149249
0.7821 Intermediate Similarity NPC106078
0.7821 Intermediate Similarity NPC266193
0.7821 Intermediate Similarity NPC66105
0.7821 Intermediate Similarity NPC476811
0.7808 Intermediate Similarity NPC88454
0.7808 Intermediate Similarity NPC101307
0.7808 Intermediate Similarity NPC117607
0.7805 Intermediate Similarity NPC472480
0.7792 Intermediate Similarity NPC39362
0.7792 Intermediate Similarity NPC279666
0.7792 Intermediate Similarity NPC192540
0.7791 Intermediate Similarity NPC473167
0.7778 Intermediate Similarity NPC48362
0.7778 Intermediate Similarity NPC64123
0.7778 Intermediate Similarity NPC230047
0.7778 Intermediate Similarity NPC19311
0.7778 Intermediate Similarity NPC110780
0.7765 Intermediate Similarity NPC475108
0.7763 Intermediate Similarity NPC81759
0.7763 Intermediate Similarity NPC161187
0.7763 Intermediate Similarity NPC244708
0.7763 Intermediate Similarity NPC330659
0.7763 Intermediate Similarity NPC36310
0.775 Intermediate Similarity NPC37038
0.7738 Intermediate Similarity NPC165895
0.7738 Intermediate Similarity NPC472497
0.7738 Intermediate Similarity NPC174619
0.7738 Intermediate Similarity NPC153604
0.7738 Intermediate Similarity NPC472495
0.7722 Intermediate Similarity NPC471409
0.7722 Intermediate Similarity NPC476810
0.7722 Intermediate Similarity NPC275494
0.7711 Intermediate Similarity NPC76518
0.7711 Intermediate Similarity NPC469993
0.7711 Intermediate Similarity NPC190704
0.7711 Intermediate Similarity NPC471034
0.7711 Intermediate Similarity NPC102292
0.7711 Intermediate Similarity NPC292553
0.7703 Intermediate Similarity NPC475977
0.7703 Intermediate Similarity NPC94192
0.7692 Intermediate Similarity NPC69143
0.7692 Intermediate Similarity NPC78935
0.7674 Intermediate Similarity NPC46758
0.7674 Intermediate Similarity NPC291028
0.7662 Intermediate Similarity NPC159325
0.7662 Intermediate Similarity NPC183503
0.7662 Intermediate Similarity NPC476046
0.7662 Intermediate Similarity NPC283908
0.7662 Intermediate Similarity NPC241854
0.7662 Intermediate Similarity NPC161923
0.7662 Intermediate Similarity NPC168511
0.7662 Intermediate Similarity NPC251970
0.7662 Intermediate Similarity NPC103958
0.7654 Intermediate Similarity NPC142244
0.7654 Intermediate Similarity NPC162632
0.7654 Intermediate Similarity NPC226068
0.7654 Intermediate Similarity NPC3915
0.7654 Intermediate Similarity NPC14151
0.7654 Intermediate Similarity NPC471898
0.7654 Intermediate Similarity NPC263272
0.7654 Intermediate Similarity NPC274050
0.7654 Intermediate Similarity NPC267691
0.7647 Intermediate Similarity NPC472739
0.7647 Intermediate Similarity NPC474719
0.7625 Intermediate Similarity NPC170394
0.7625 Intermediate Similarity NPC192744
0.7625 Intermediate Similarity NPC263951
0.7625 Intermediate Similarity NPC476812
0.7625 Intermediate Similarity NPC201459
0.7619 Intermediate Similarity NPC95594
0.7619 Intermediate Similarity NPC34190
0.7619 Intermediate Similarity NPC72638
0.7619 Intermediate Similarity NPC472479
0.7619 Intermediate Similarity NPC477579
0.7619 Intermediate Similarity NPC73038
0.7619 Intermediate Similarity NPC94666
0.7619 Intermediate Similarity NPC158393
0.7619 Intermediate Similarity NPC235341
0.7614 Intermediate Similarity NPC60692
0.7614 Intermediate Similarity NPC209662
0.76 Intermediate Similarity NPC327728
0.76 Intermediate Similarity NPC131892
0.76 Intermediate Similarity NPC213178
0.76 Intermediate Similarity NPC196197
0.76 Intermediate Similarity NPC6120
0.7595 Intermediate Similarity NPC474433
0.7595 Intermediate Similarity NPC23884
0.7595 Intermediate Similarity NPC471897
0.7595 Intermediate Similarity NPC107039
0.7595 Intermediate Similarity NPC471899
0.7595 Intermediate Similarity NPC165711
0.7595 Intermediate Similarity NPC34110
0.759 Intermediate Similarity NPC474233
0.759 Intermediate Similarity NPC180834
0.759 Intermediate Similarity NPC264665
0.759 Intermediate Similarity NPC74595
0.7586 Intermediate Similarity NPC105189
0.7586 Intermediate Similarity NPC272746
0.7568 Intermediate Similarity NPC41542
0.7561 Intermediate Similarity NPC163236
0.7561 Intermediate Similarity NPC258153
0.7561 Intermediate Similarity NPC476458
0.7561 Intermediate Similarity NPC251779
0.7561 Intermediate Similarity NPC73882
0.7561 Intermediate Similarity NPC151519
0.7561 Intermediate Similarity NPC193347
0.7561 Intermediate Similarity NPC145143
0.7561 Intermediate Similarity NPC310989
0.7561 Intermediate Similarity NPC69101
0.7558 Intermediate Similarity NPC65615
0.7558 Intermediate Similarity NPC68148
0.7558 Intermediate Similarity NPC329643
0.7558 Intermediate Similarity NPC119416
0.7558 Intermediate Similarity NPC69627
0.7532 Intermediate Similarity NPC472813
0.7532 Intermediate Similarity NPC282905
0.7532 Intermediate Similarity NPC68426
0.7532 Intermediate Similarity NPC232112
0.7532 Intermediate Similarity NPC477229
0.7531 Intermediate Similarity NPC2482
0.7531 Intermediate Similarity NPC164999
0.7529 Intermediate Similarity NPC472482
0.7529 Intermediate Similarity NPC141292
0.7529 Intermediate Similarity NPC307426
0.7529 Intermediate Similarity NPC476932
0.7529 Intermediate Similarity NPC51700
0.7529 Intermediate Similarity NPC469317
0.7529 Intermediate Similarity NPC18064
0.7529 Intermediate Similarity NPC102683
0.7529 Intermediate Similarity NPC242468
0.7529 Intermediate Similarity NPC68160
0.7529 Intermediate Similarity NPC293564
0.7529 Intermediate Similarity NPC4643
0.7529 Intermediate Similarity NPC57469
0.7529 Intermediate Similarity NPC298904
0.7529 Intermediate Similarity NPC472481
0.7529 Intermediate Similarity NPC88716
0.7529 Intermediate Similarity NPC171203
0.7529 Intermediate Similarity NPC130577
0.7529 Intermediate Similarity NPC259009
0.7529 Intermediate Similarity NPC241875
0.7529 Intermediate Similarity NPC142415
0.7529 Intermediate Similarity NPC472484

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC38426 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
0.7945 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7945 Intermediate Similarity NPD5360 Phase 3
0.7831 Intermediate Similarity NPD3618 Phase 1
0.7831 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD4758 Discontinued
0.76 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD4223 Phase 3
0.7561 Intermediate Similarity NPD4221 Approved
0.7561 Intermediate Similarity NPD3667 Approved
0.75 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD4788 Approved
0.7432 Intermediate Similarity NPD4224 Phase 2
0.7412 Intermediate Similarity NPD4519 Discontinued
0.7412 Intermediate Similarity NPD4623 Approved
0.7403 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD7515 Phase 2
0.7386 Intermediate Similarity NPD6079 Approved
0.7381 Intermediate Similarity NPD4786 Approved
0.7381 Intermediate Similarity NPD4197 Approved
0.7356 Intermediate Similarity NPD5328 Approved
0.7342 Intermediate Similarity NPD3703 Phase 2
0.7326 Intermediate Similarity NPD3573 Approved
0.7317 Intermediate Similarity NPD4695 Discontinued
0.7303 Intermediate Similarity NPD4202 Approved
0.7294 Intermediate Similarity NPD5329 Approved
0.7284 Intermediate Similarity NPD3617 Approved
0.7222 Intermediate Similarity NPD7748 Approved
0.7209 Intermediate Similarity NPD4138 Approved
0.7209 Intermediate Similarity NPD4689 Approved
0.7209 Intermediate Similarity NPD4690 Approved
0.7209 Intermediate Similarity NPD4688 Approved
0.7209 Intermediate Similarity NPD5690 Phase 2
0.7209 Intermediate Similarity NPD5205 Approved
0.7209 Intermediate Similarity NPD4693 Phase 3
0.7191 Intermediate Similarity NPD8035 Phase 2
0.7191 Intermediate Similarity NPD8034 Phase 2
0.7176 Intermediate Similarity NPD3133 Approved
0.7176 Intermediate Similarity NPD3666 Approved
0.7176 Intermediate Similarity NPD3665 Phase 1
0.7174 Intermediate Similarity NPD7902 Approved
0.7143 Intermediate Similarity NPD3698 Phase 2
0.7073 Intermediate Similarity NPD5364 Discontinued
0.7067 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD5222 Approved
0.7065 Intermediate Similarity NPD5221 Approved
0.7065 Intermediate Similarity NPD4697 Phase 3
0.7051 Intermediate Similarity NPD4245 Approved
0.7051 Intermediate Similarity NPD4789 Approved
0.7051 Intermediate Similarity NPD4244 Approved
0.7037 Intermediate Similarity NPD6117 Approved
0.7024 Intermediate Similarity NPD4692 Approved
0.7024 Intermediate Similarity NPD4139 Approved
0.7021 Intermediate Similarity NPD4696 Approved
0.7021 Intermediate Similarity NPD5285 Approved
0.7021 Intermediate Similarity NPD5286 Approved
0.7011 Intermediate Similarity NPD4694 Approved
0.7011 Intermediate Similarity NPD5280 Approved
0.7 Intermediate Similarity NPD5281 Approved
0.7 Intermediate Similarity NPD5284 Approved
0.7 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4755 Approved
0.6989 Remote Similarity NPD5173 Approved
0.6988 Remote Similarity NPD4195 Approved
0.6977 Remote Similarity NPD3668 Phase 3
0.6966 Remote Similarity NPD4753 Phase 2
0.6966 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6962 Remote Similarity NPD6081 Approved
0.6957 Remote Similarity NPD5210 Approved
0.6957 Remote Similarity NPD4629 Approved
0.6951 Remote Similarity NPD6116 Phase 1
0.6947 Remote Similarity NPD5223 Approved
0.6923 Remote Similarity NPD6399 Phase 3
0.6905 Remote Similarity NPD7525 Registered
0.6875 Remote Similarity NPD5224 Approved
0.6875 Remote Similarity NPD4633 Approved
0.6875 Remote Similarity NPD5225 Approved
0.6875 Remote Similarity NPD5211 Phase 2
0.6875 Remote Similarity NPD5226 Approved
0.6867 Remote Similarity NPD6118 Approved
0.6867 Remote Similarity NPD6115 Approved
0.6867 Remote Similarity NPD3671 Phase 1
0.6867 Remote Similarity NPD6697 Approved
0.6867 Remote Similarity NPD6114 Approved
0.6848 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7900 Approved
0.6842 Remote Similarity NPD4700 Approved
0.6804 Remote Similarity NPD5174 Approved
0.6804 Remote Similarity NPD5175 Approved
0.6786 Remote Similarity NPD7645 Phase 2
0.6735 Remote Similarity NPD5141 Approved
0.6709 Remote Similarity NPD4137 Phase 3
0.67 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6001 Approved
0.6633 Remote Similarity NPD4754 Approved
0.6629 Remote Similarity NPD6098 Approved
0.6629 Remote Similarity NPD5279 Phase 3
0.6625 Remote Similarity NPD4691 Approved
0.6625 Remote Similarity NPD4747 Approved
0.66 Remote Similarity NPD5697 Approved
0.6596 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6585 Remote Similarity NPD4785 Approved
0.6585 Remote Similarity NPD4058 Approved
0.6585 Remote Similarity NPD4784 Approved
0.6582 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6562 Remote Similarity NPD5696 Approved
0.6559 Remote Similarity NPD5133 Approved
0.6543 Remote Similarity NPD4243 Approved
0.6535 Remote Similarity NPD4729 Approved
0.6535 Remote Similarity NPD6899 Approved
0.6535 Remote Similarity NPD4730 Approved
0.6535 Remote Similarity NPD6011 Approved
0.6535 Remote Similarity NPD6881 Approved
0.6531 Remote Similarity NPD5091 Approved
0.6526 Remote Similarity NPD7614 Phase 1
0.6522 Remote Similarity NPD4096 Approved
0.6522 Remote Similarity NPD5207 Approved
0.6506 Remote Similarity NPD3702 Approved
0.6505 Remote Similarity NPD6649 Approved
0.6505 Remote Similarity NPD6650 Approved
0.65 Remote Similarity NPD5739 Approved
0.65 Remote Similarity NPD4768 Approved
0.65 Remote Similarity NPD4767 Approved
0.65 Remote Similarity NPD6402 Approved
0.65 Remote Similarity NPD7128 Approved
0.65 Remote Similarity NPD6675 Approved
0.6484 Remote Similarity NPD5208 Approved
0.6484 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6484 Remote Similarity NPD4518 Approved
0.6471 Remote Similarity NPD6013 Approved
0.6471 Remote Similarity NPD6372 Approved
0.6471 Remote Similarity NPD6373 Approved
0.6471 Remote Similarity NPD6014 Approved
0.6471 Remote Similarity NPD6012 Approved
0.6458 Remote Similarity NPD6083 Phase 2
0.6458 Remote Similarity NPD6084 Phase 2
0.6444 Remote Similarity NPD7334 Approved
0.6444 Remote Similarity NPD6409 Approved
0.6444 Remote Similarity NPD5330 Approved
0.6444 Remote Similarity NPD6684 Approved
0.6444 Remote Similarity NPD7146 Approved
0.6444 Remote Similarity NPD7521 Approved
0.6436 Remote Similarity NPD5701 Approved
0.6429 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6421 Remote Similarity NPD5695 Phase 3
0.6413 Remote Similarity NPD6673 Approved
0.6413 Remote Similarity NPD6904 Approved
0.6413 Remote Similarity NPD6080 Approved
0.641 Remote Similarity NPD7341 Phase 2
0.6408 Remote Similarity NPD5250 Approved
0.6408 Remote Similarity NPD5247 Approved
0.6408 Remote Similarity NPD5169 Approved
0.6408 Remote Similarity NPD5248 Approved
0.6408 Remote Similarity NPD7102 Approved
0.6408 Remote Similarity NPD5135 Approved
0.6408 Remote Similarity NPD4634 Approved
0.6408 Remote Similarity NPD5249 Phase 3
0.6408 Remote Similarity NPD6883 Approved
0.6408 Remote Similarity NPD7290 Approved
0.6408 Remote Similarity NPD5251 Approved
0.6408 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6392 Remote Similarity NPD7638 Approved
0.6389 Remote Similarity NPD615 Clinical (unspecified phase)
0.6386 Remote Similarity NPD4687 Approved
0.6373 Remote Similarity NPD5128 Approved
0.6373 Remote Similarity NPD7320 Approved
0.6373 Remote Similarity NPD5168 Approved
0.6346 Remote Similarity NPD6847 Approved
0.6346 Remote Similarity NPD5127 Approved
0.6346 Remote Similarity NPD6869 Approved
0.6346 Remote Similarity NPD6617 Approved
0.6346 Remote Similarity NPD5217 Approved
0.6346 Remote Similarity NPD8130 Phase 1
0.6346 Remote Similarity NPD5215 Approved
0.6346 Remote Similarity NPD5216 Approved
0.6341 Remote Similarity NPD5777 Approved
0.6333 Remote Similarity NPD1694 Approved
0.6329 Remote Similarity NPD7331 Phase 2
0.6327 Remote Similarity NPD7639 Approved
0.6327 Remote Similarity NPD7640 Approved
0.631 Remote Similarity NPD7339 Approved
0.631 Remote Similarity NPD6942 Approved
0.631 Remote Similarity NPD4190 Phase 3
0.631 Remote Similarity NPD5275 Approved
0.6304 Remote Similarity NPD6903 Approved
0.6304 Remote Similarity NPD6672 Approved
0.6304 Remote Similarity NPD5737 Approved
0.6296 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6882 Approved
0.6286 Remote Similarity NPD8297 Approved
0.6277 Remote Similarity NPD5693 Phase 1
0.6277 Remote Similarity NPD5694 Approved
0.6226 Remote Similarity NPD4632 Approved
0.6204 Remote Similarity NPD7115 Discovery
0.619 Remote Similarity NPD5733 Approved
0.619 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6176 Remote Similarity NPD6008 Approved
0.617 Remote Similarity NPD5692 Phase 3

Structure

External Identifiers

PubChem CID   46833404
ChEMBL   CHEMBL1095112
ZINC  

Physicochemical Properties

Molecular Weight:  318.22
ALogP:  1.6925
MLogP:  3.33
XLogP:  2.716
# Rotatable Bonds:  6
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  23

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs