Natural Product: NPC184928

Natural Product ID:  NPC184928
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H40O7
Standard InCHIKey:  VLURTMXFQXKLON-WOGXIUBCSA-N
Standard InCHI:  InChI=1S/C28H40O7/c1-15(2)14-35-24-17(4)16(3)11-18-12-20(29-5)25(31-7)27(33-9)22(18)23-19(24)13-21(30-6)26(32-8)28(23)34-10/h12-13,15-17,24H,11,14H2,1-10H3/t16-,17-,24+/m0/s1
Canonical SMILES:  COc1cc2[C@H](OCC(C)C)[C@@H](C)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c(c(c3)OC)OC
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
NPO29191 Schisandra neglecta Species Schisandraceae Eukaryota Stems Luoji Mountain Village, Xichang County, Sicuan Province, China 2011-SEP PMID[23738539]
NPO29191 Schisandra neglecta Species Schisandraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2678 Cell Line NB-4 Homo sapiens IC50 > 10000 nM 23738539
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 5900 nM 23738539
NPT2 Others Unspecified Ratio CC50/EC50 > 33.7 23738539
NPT1452 Cell Line C8166 Homo sapiens CC50 > 200000 nM 23738539
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 23738539
NPT306 Cell Line PC-3 Homo sapiens IC50 > 10000 nM 23738539
NPT2 Others Unspecified IC50 > 10000 nM 23738539
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 23738539

  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 NPC184928 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 NPC141493
0.9758 High Similarity NPC149008
0.9758 High Similarity NPC207702
0.9758 High Similarity NPC283114
0.9538 High Similarity NPC865
0.9466 High Similarity NPC471183
0.9453 High Similarity NPC475856
0.9453 High Similarity NPC102256
0.9313 High Similarity NPC133025
0.9297 High Similarity NPC237169
0.9297 High Similarity NPC470624
0.9286 High Similarity NPC88297
0.9286 High Similarity NPC186845
0.9286 High Similarity NPC9891
0.9242 High Similarity NPC3072
0.9242 High Similarity NPC301765
0.9242 High Similarity NPC156948
0.9242 High Similarity NPC86605
0.9242 High Similarity NPC46277
0.9185 High Similarity NPC469630
0.916 High Similarity NPC276026
0.916 High Similarity NPC188378
0.916 High Similarity NPC469659
0.916 High Similarity NPC289258
0.916 High Similarity NPC185680
0.916 High Similarity NPC256776
0.916 High Similarity NPC56764
0.916 High Similarity NPC7515
0.916 High Similarity NPC145722
0.916 High Similarity NPC206737
0.916 High Similarity NPC555
0.9134 High Similarity NPC112571
0.9134 High Similarity NPC285725
0.9134 High Similarity NPC50683
0.9118 High Similarity NPC326144
0.9091 High Similarity NPC180602
0.9091 High Similarity NPC55239
0.9091 High Similarity NPC240279
0.9091 High Similarity NPC214853
0.9062 High Similarity NPC202904
0.9062 High Similarity NPC8050
0.9062 High Similarity NPC471986
0.9062 High Similarity NPC189248
0.9062 High Similarity NPC473093
0.9062 High Similarity NPC473092
0.9051 High Similarity NPC318286
0.9051 High Similarity NPC327651
0.9044 High Similarity NPC76415
0.9044 High Similarity NPC218510
0.904 High Similarity NPC477886
0.9023 High Similarity NPC32189
0.8992 High Similarity NPC54321
0.8992 High Similarity NPC328682
0.8992 High Similarity NPC222127
0.8992 High Similarity NPC31707
0.8992 High Similarity NPC82862
0.8992 High Similarity NPC281864
0.8986 High Similarity NPC321696
0.8986 High Similarity NPC321958
0.8986 High Similarity NPC474054
0.8978 High Similarity NPC87883
0.8971 High Similarity NPC36531
0.8971 High Similarity NPC229172
0.8971 High Similarity NPC230538
0.8971 High Similarity NPC103637
0.8963 High Similarity NPC216434
0.8963 High Similarity NPC103448
0.8921 High Similarity NPC295297
0.8915 High Similarity NPC242032
0.8905 High Similarity NPC324962
0.8889 High Similarity NPC290714
0.8889 High Similarity NPC53722
0.8889 High Similarity NPC201404
0.8872 High Similarity NPC474478
0.8857 High Similarity NPC252281
0.8857 High Similarity NPC198129
0.8857 High Similarity NPC477375
0.8857 High Similarity NPC477879
0.8857 High Similarity NPC327352
0.8841 High Similarity NPC239254
0.8841 High Similarity NPC73467
0.8841 High Similarity NPC121661
0.8841 High Similarity NPC172171
0.8832 High Similarity NPC474295
0.8819 High Similarity NPC261661
0.88 High Similarity NPC15805
0.88 High Similarity NPC475961
0.88 High Similarity NPC254625
0.8794 High Similarity NPC477376
0.8794 High Similarity NPC474347
0.8794 High Similarity NPC322426
0.8794 High Similarity NPC474393
0.8794 High Similarity NPC477374
0.8788 High Similarity NPC149337
0.8788 High Similarity NPC471983
0.8777 High Similarity NPC166506
0.8777 High Similarity NPC197352
0.8777 High Similarity NPC110763
0.8777 High Similarity NPC475868
0.8777 High Similarity NPC189239
0.8741 High Similarity NPC78047
0.874 High Similarity NPC312713
0.874 High Similarity NPC126935
0.874 High Similarity NPC65933
0.874 High Similarity NPC172676
0.874 High Similarity NPC57268
0.874 High Similarity NPC216929
0.8732 High Similarity NPC477381
0.8732 High Similarity NPC470916
0.8732 High Similarity NPC316989
0.8723 High Similarity NPC325720
0.8723 High Similarity NPC316676
0.8722 High Similarity NPC72046
0.8722 High Similarity NPC175067
0.8722 High Similarity NPC261812
0.8722 High Similarity NPC65183
0.8722 High Similarity NPC204215
0.8714 High Similarity NPC252286
0.8714 High Similarity NPC154971
0.8712 High Similarity NPC476399
0.8712 High Similarity NPC224157
0.8712 High Similarity NPC126836
0.8712 High Similarity NPC192687
0.8705 High Similarity NPC18211
0.8696 High Similarity NPC133934
0.8696 High Similarity NPC184684
0.8696 High Similarity NPC184641
0.8696 High Similarity NPC470917
0.8692 High Similarity NPC223953
0.8682 High Similarity NPC18449
0.8682 High Similarity NPC121783
0.8682 High Similarity NPC34902
0.8676 High Similarity NPC196420
0.8676 High Similarity NPC477938
0.8671 High Similarity NPC477379
0.8671 High Similarity NPC224472
0.8667 High Similarity NPC256262
0.8662 High Similarity NPC85141
0.8661 High Similarity NPC472596
0.8657 High Similarity NPC136750
0.8657 High Similarity NPC158331
0.8657 High Similarity NPC263064
0.8657 High Similarity NPC32778
0.8657 High Similarity NPC1474
0.8657 High Similarity NPC266848
0.8652 High Similarity NPC183083
0.8652 High Similarity NPC137352
0.8647 High Similarity NPC474017
0.8636 High Similarity NPC469951
0.8636 High Similarity NPC190144
0.8636 High Similarity NPC469963
0.8626 High Similarity NPC98745
0.8615 High Similarity NPC105925
0.8613 High Similarity NPC230124
0.8613 High Similarity NPC184613
0.8613 High Similarity NPC6300
0.8613 High Similarity NPC471388
0.8613 High Similarity NPC114171
0.8611 High Similarity NPC475229
0.8611 High Similarity NPC477378
0.8611 High Similarity NPC471154
0.8603 High Similarity NPC234952
0.8603 High Similarity NPC471182
0.8603 High Similarity NPC248727
0.8603 High Similarity NPC143139
0.8603 High Similarity NPC205442
0.8603 High Similarity NPC173660
0.8603 High Similarity NPC265433
0.8603 High Similarity NPC162659
0.8603 High Similarity NPC202846
0.8603 High Similarity NPC270456
0.8601 High Similarity NPC473989
0.8593 High Similarity NPC31530
0.8593 High Similarity NPC125649
0.8593 High Similarity NPC209199
0.8593 High Similarity NPC244983
0.8593 High Similarity NPC326095
0.8593 High Similarity NPC287745
0.8582 High Similarity NPC7744
0.8582 High Similarity NPC6451
0.8571 High Similarity NPC469614
0.8571 High Similarity NPC50250
0.8571 High Similarity NPC307042
0.8571 High Similarity NPC473108
0.8571 High Similarity NPC79184
0.8571 High Similarity NPC143092
0.8571 High Similarity NPC469612
0.8561 High Similarity NPC154866
0.8561 High Similarity NPC210674
0.856 High Similarity NPC123948
0.856 High Similarity NPC81067
0.856 High Similarity NPC9341
0.8552 High Similarity NPC308739
0.8552 High Similarity NPC477377
0.8552 High Similarity NPC475141
0.8552 High Similarity NPC297271
0.8552 High Similarity NPC126405
0.8552 High Similarity NPC24562
0.8552 High Similarity NPC16791
0.8552 High Similarity NPC77237

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC184928 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
0.8496 Intermediate Similarity NPD3027 Phase 3
0.832 Intermediate Similarity NPD5283 Phase 1
0.8209 Intermediate Similarity NPD3018 Phase 2
0.8175 Intermediate Similarity NPD1613 Approved
0.8175 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8168 Intermediate Similarity NPD3705 Approved
0.8106 Intermediate Similarity NPD2981 Phase 2
0.8074 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8045 Intermediate Similarity NPD2983 Phase 2
0.8045 Intermediate Similarity NPD2982 Phase 2
0.8015 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7883 Intermediate Similarity NPD4908 Phase 1
0.7862 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7815 Intermediate Similarity NPD37 Approved
0.7778 Intermediate Similarity NPD4966 Approved
0.7778 Intermediate Similarity NPD4967 Phase 2
0.7778 Intermediate Similarity NPD4965 Approved
0.777 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7761 Intermediate Similarity NPD1610 Phase 2
0.7737 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD6674 Discontinued
0.7698 Intermediate Similarity NPD4625 Phase 3
0.7687 Intermediate Similarity NPD7124 Phase 2
0.7677 Intermediate Similarity NPD6234 Discontinued
0.7639 Intermediate Similarity NPD3539 Phase 1
0.7622 Intermediate Similarity NPD6111 Discontinued
0.7616 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD3540 Phase 1
0.7554 Intermediate Similarity NPD2861 Phase 2
0.7518 Intermediate Similarity NPD4749 Approved
0.7518 Intermediate Similarity NPD5109 Approved
0.7518 Intermediate Similarity NPD5110 Phase 2
0.7518 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD5111 Phase 2
0.7516 Intermediate Similarity NPD5494 Approved
0.75 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4005 Discontinued
0.7483 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD3657 Discovery
0.7468 Intermediate Similarity NPD7199 Phase 2
0.7468 Intermediate Similarity NPD1934 Approved
0.7463 Intermediate Similarity NPD1548 Phase 1
0.7453 Intermediate Similarity NPD7228 Approved
0.7413 Intermediate Similarity NPD4060 Phase 1
0.7413 Intermediate Similarity NPD3620 Phase 2
0.7413 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD5844 Phase 1
0.7394 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD5327 Phase 3
0.7391 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD7473 Discontinued
0.7389 Intermediate Similarity NPD4055 Discovery
0.7388 Intermediate Similarity NPD5536 Phase 2
0.7375 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD3892 Phase 2
0.7315 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD6232 Discontinued
0.7308 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD2438 Suspended
0.7279 Intermediate Similarity NPD5691 Approved
0.7273 Intermediate Similarity NPD7240 Approved
0.7261 Intermediate Similarity NPD3817 Phase 2
0.7254 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD7157 Approved
0.723 Intermediate Similarity NPD5763 Approved
0.723 Intermediate Similarity NPD5762 Approved
0.7215 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD8651 Approved
0.72 Intermediate Similarity NPD7466 Approved
0.7197 Intermediate Similarity NPD228 Approved
0.7197 Intermediate Similarity NPD2801 Approved
0.7195 Intermediate Similarity NPD8156 Discontinued
0.7179 Intermediate Similarity NPD5089 Approved
0.7179 Intermediate Similarity NPD5090 Approved
0.7172 Intermediate Similarity NPD2979 Phase 3
0.7172 Intermediate Similarity NPD2238 Phase 2
0.7162 Intermediate Similarity NPD2796 Approved
0.7162 Intermediate Similarity NPD6099 Approved
0.7162 Intermediate Similarity NPD6100 Approved
0.7161 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD1651 Approved
0.7152 Intermediate Similarity NPD2677 Approved
0.7143 Intermediate Similarity NPD7843 Approved
0.7143 Intermediate Similarity NPD6895 Approved
0.7143 Intermediate Similarity NPD6896 Approved
0.7143 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD8099 Discontinued
0.7134 Intermediate Similarity NPD8251 Approved
0.7134 Intermediate Similarity NPD8252 Approved
0.7133 Intermediate Similarity NPD5177 Phase 3
0.7123 Intermediate Similarity NPD5735 Approved
0.7123 Intermediate Similarity NPD6355 Discontinued
0.7122 Intermediate Similarity NPD1611 Approved
0.7117 Intermediate Similarity NPD6166 Phase 2
0.7117 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD4678 Approved
0.7115 Intermediate Similarity NPD4675 Approved
0.7114 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD3882 Suspended
0.7099 Intermediate Similarity NPD2684 Approved
0.7099 Intermediate Similarity NPD7229 Phase 3
0.7097 Intermediate Similarity NPD1653 Approved
0.7095 Intermediate Similarity NPD3748 Approved
0.7092 Intermediate Similarity NPD2922 Phase 1
0.7089 Intermediate Similarity NPD7819 Suspended
0.7089 Intermediate Similarity NPD4585 Approved
0.7089 Intermediate Similarity NPD1465 Phase 2
0.7078 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD3926 Phase 2
0.7048 Intermediate Similarity NPD7074 Phase 3
0.7045 Intermediate Similarity NPD3021 Approved
0.7045 Intermediate Similarity NPD4750 Phase 3
0.7045 Intermediate Similarity NPD3022 Approved
0.7044 Intermediate Similarity NPD5353 Approved
0.7029 Intermediate Similarity NPD3445 Approved
0.7029 Intermediate Similarity NPD3443 Approved
0.7029 Intermediate Similarity NPD3444 Approved
0.7021 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD4237 Approved
0.702 Intermediate Similarity NPD4236 Phase 3
0.7 Intermediate Similarity NPD1091 Approved
0.7 Intermediate Similarity NPD1375 Discontinued
0.7 Intermediate Similarity NPD1281 Approved
0.6988 Remote Similarity NPD7054 Approved
0.6985 Remote Similarity NPD709 Approved
0.6985 Remote Similarity NPD6671 Approved
0.698 Remote Similarity NPD4108 Discontinued
0.6978 Remote Similarity NPD4626 Approved
0.6974 Remote Similarity NPD6331 Phase 2
0.6974 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6974 Remote Similarity NPD4110 Phase 3
0.6972 Remote Similarity NPD6696 Suspended
0.697 Remote Similarity NPD3489 Phase 3
0.6954 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6951 Remote Similarity NPD5242 Approved
0.6948 Remote Similarity NPD4357 Discontinued
0.6948 Remote Similarity NPD1511 Approved
0.6946 Remote Similarity NPD7472 Approved
0.6937 Remote Similarity NPD2563 Approved
0.6937 Remote Similarity NPD2560 Approved
0.6933 Remote Similarity NPD6959 Discontinued
0.6933 Remote Similarity NPD1247 Approved
0.6928 Remote Similarity NPD3818 Discontinued
0.6928 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6928 Remote Similarity NPD2219 Phase 1
0.6923 Remote Similarity NPD7549 Discontinued
0.6918 Remote Similarity NPD5718 Phase 2
0.6918 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6917 Remote Similarity NPD5451 Approved
0.6914 Remote Similarity NPD919 Approved
0.6913 Remote Similarity NPD4536 Approved
0.6913 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6913 Remote Similarity NPD4538 Approved
0.6908 Remote Similarity NPD1652 Phase 2
0.6908 Remote Similarity NPD3060 Approved
0.6906 Remote Similarity NPD1357 Approved
0.6906 Remote Similarity NPD5585 Approved
0.6903 Remote Similarity NPD4584 Approved
0.6903 Remote Similarity NPD7447 Phase 1
0.6901 Remote Similarity NPD1669 Approved
0.6899 Remote Similarity NPD4380 Phase 2
0.6894 Remote Similarity NPD6788 Approved
0.6894 Remote Similarity NPD290 Approved
0.6892 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6892 Remote Similarity NPD5124 Phase 1
0.689 Remote Similarity NPD3787 Discontinued
0.6889 Remote Similarity NPD5535 Approved
0.6887 Remote Similarity NPD7266 Discontinued
0.6879 Remote Similarity NPD422 Phase 1
0.6875 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6867 Remote Similarity NPD2154 Approved
0.6867 Remote Similarity NPD2156 Approved
0.6867 Remote Similarity NPD2155 Approved
0.6863 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6863 Remote Similarity NPD3750 Approved
0.6861 Remote Similarity NPD6387 Discontinued
0.6859 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6859 Remote Similarity NPD52 Approved
0.6859 Remote Similarity NPD7526 Approved
0.6859 Remote Similarity NPD1512 Approved
0.6857 Remote Similarity NPD17 Approved
0.6855 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6853 Remote Similarity NPD1283 Approved
0.6849 Remote Similarity NPD7095 Approved
0.6849 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6846 Remote Similarity NPD4097 Suspended
0.6846 Remote Similarity NPD6353 Approved
0.6842 Remote Similarity NPD2808 Discontinued
0.6842 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1372 Clinical (unspecified phase)
0.6842 Remote Similarity NPD8054 Approved
0.6842 Remote Similarity NPD8053 Approved
0.6839 Remote Similarity NPD7040 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   71726170
ChEMBL   CHEMBL2386333
ZINC  

Physicochemical Properties

Molecular Weight:  488.28
ALogP:  0.6572
MLogP:  3.77
XLogP:  4.279
# Rotatable Bonds:  19
Polar Surface Area:  64.61
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  35

Download Data

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Structure MOL file  
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Biological Activities  
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