Natural Product: NPC26307

Natural Product ID:  NPC26307
Common Name:   Sodwanone V
IUPAC Name:  
Synonyms:   Sodwanone V
Molecular Formula:   C30H50O5
Standard InCHIKey:  CYLJHDMRPKFBIE-GBFSNZKCSA-N
Standard InCHI:  InChI=1S/C30H50O5/c1-19-9-12-22-21(11-13-23(31)25(3,4)33-22)27(19,7)15-16-28(8)20(2)10-14-24-29(28)17-18-30(32,35-29)26(5,6)34-24/h11,19-20,22-24,31-32H,9-10,12-18H2,1-8H3/t19-,20-,22-,23-,24-,27-,28+,29-,30+/m0/s1
Canonical SMILES:  C[C@H]1CC[C@H]2C(=CC[C@@H](C(O2)(C)C)O)[C@@]1(C)CC[C@]1(C)[C@@H](C)CC[C@H]2[C@]31CC[C@](O3)(O)C(O2)(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
NPO32663 Axinella Genus Axinellidae Eukaryota South African PMID[17190448]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 15000 nM 19441846
NPT2 Others Unspecified IC50 = 15000 nM 20159656
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 23000 nM 11141106
NPT90 Cell Line DU-145 Homo sapiens IC50 > 30000 nM 18598080
NPT306 Cell Line PC-3 Homo sapiens IC50 > 30000 nM 15921415
NPT2 Others Unspecified IC50 = 15000 nM 8254357
NPT396 Cell Line T47D Homo sapiens IC50 > 30000 nM 12762819

  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 NPC26307 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
0.8602 High Similarity NPC477917
0.8587 High Similarity NPC476948
0.8542 High Similarity NPC135224
0.8542 High Similarity NPC477969
0.8469 Intermediate Similarity NPC476895
0.8454 Intermediate Similarity NPC90583
0.8438 Intermediate Similarity NPC189513
0.8384 Intermediate Similarity NPC473790
0.8367 Intermediate Similarity NPC476893
0.8351 Intermediate Similarity NPC100892
0.8351 Intermediate Similarity NPC477970
0.8351 Intermediate Similarity NPC476894
0.8317 Intermediate Similarity NPC281378
0.83 Intermediate Similarity NPC475617
0.83 Intermediate Similarity NPC476896
0.8269 Intermediate Similarity NPC472901
0.8269 Intermediate Similarity NPC128133
0.8265 Intermediate Similarity NPC72204
0.8261 Intermediate Similarity NPC319238
0.8252 Intermediate Similarity NPC33053
0.8247 Intermediate Similarity NPC477927
0.8247 Intermediate Similarity NPC72817
0.8235 Intermediate Similarity NPC93352
0.8211 Intermediate Similarity NPC470819
0.8211 Intermediate Similarity NPC97103
0.8211 Intermediate Similarity NPC115607
0.82 Intermediate Similarity NPC228251
0.82 Intermediate Similarity NPC477971
0.82 Intermediate Similarity NPC477972
0.82 Intermediate Similarity NPC161527
0.82 Intermediate Similarity NPC477968
0.82 Intermediate Similarity NPC219285
0.82 Intermediate Similarity NPC20113
0.8191 Intermediate Similarity NPC189777
0.819 Intermediate Similarity NPC170974
0.819 Intermediate Similarity NPC191439
0.819 Intermediate Similarity NPC177047
0.819 Intermediate Similarity NPC103627
0.8182 Intermediate Similarity NPC240372
0.8173 Intermediate Similarity NPC38948
0.8173 Intermediate Similarity NPC38376
0.8173 Intermediate Similarity NPC80210
0.8172 Intermediate Similarity NPC290731
0.8163 Intermediate Similarity NPC8774
0.8155 Intermediate Similarity NPC472898
0.8155 Intermediate Similarity NPC472900
0.8155 Intermediate Similarity NPC472899
0.8144 Intermediate Similarity NPC474792
0.8144 Intermediate Similarity NPC67398
0.8144 Intermediate Similarity NPC91654
0.8137 Intermediate Similarity NPC474124
0.8137 Intermediate Similarity NPC473124
0.8137 Intermediate Similarity NPC475701
0.8137 Intermediate Similarity NPC473123
0.8125 Intermediate Similarity NPC474249
0.8125 Intermediate Similarity NPC261990
0.8125 Intermediate Similarity NPC470817
0.8119 Intermediate Similarity NPC11974
0.8113 Intermediate Similarity NPC472987
0.8113 Intermediate Similarity NPC65034
0.8113 Intermediate Similarity NPC208189
0.8113 Intermediate Similarity NPC473021
0.81 Intermediate Similarity NPC5358
0.81 Intermediate Similarity NPC216260
0.81 Intermediate Similarity NPC312325
0.8095 Intermediate Similarity NPC285253
0.8095 Intermediate Similarity NPC14630
0.8095 Intermediate Similarity NPC473318
0.8095 Intermediate Similarity NPC473328
0.8095 Intermediate Similarity NPC250089
0.8095 Intermediate Similarity NPC195116
0.8095 Intermediate Similarity NPC28844
0.8095 Intermediate Similarity NPC157530
0.8095 Intermediate Similarity NPC221110
0.8095 Intermediate Similarity NPC180459
0.8095 Intermediate Similarity NPC206618
0.8085 Intermediate Similarity NPC476217
0.8081 Intermediate Similarity NPC12103
0.8081 Intermediate Similarity NPC210717
0.8081 Intermediate Similarity NPC288970
0.8081 Intermediate Similarity NPC103165
0.8081 Intermediate Similarity NPC98457
0.8081 Intermediate Similarity NPC227583
0.8077 Intermediate Similarity NPC471205
0.8061 Intermediate Similarity NPC65402
0.8061 Intermediate Similarity NPC127718
0.8061 Intermediate Similarity NPC305160
0.8058 Intermediate Similarity NPC203354
0.8058 Intermediate Similarity NPC473127
0.8058 Intermediate Similarity NPC110656
0.8058 Intermediate Similarity NPC75608
0.8058 Intermediate Similarity NPC474464
0.8058 Intermediate Similarity NPC473543
0.8041 Intermediate Similarity NPC210268
0.8041 Intermediate Similarity NPC302584
0.8039 Intermediate Similarity NPC136816
0.8039 Intermediate Similarity NPC475344
0.8039 Intermediate Similarity NPC476471
0.8037 Intermediate Similarity NPC231797
0.802 Intermediate Similarity NPC64348
0.802 Intermediate Similarity NPC473510
0.802 Intermediate Similarity NPC471242
0.802 Intermediate Similarity NPC38855
0.8019 Intermediate Similarity NPC65155
0.8 Intermediate Similarity NPC233744
0.8 Intermediate Similarity NPC48548
0.8 Intermediate Similarity NPC217921
0.8 Intermediate Similarity NPC135015
0.8 Intermediate Similarity NPC210337
0.8 Intermediate Similarity NPC128795
0.7981 Intermediate Similarity NPC474015
0.7981 Intermediate Similarity NPC51719
0.7981 Intermediate Similarity NPC127609
0.7981 Intermediate Similarity NPC476592
0.7963 Intermediate Similarity NPC264153
0.7961 Intermediate Similarity NPC471887
0.7961 Intermediate Similarity NPC213190
0.7961 Intermediate Similarity NPC471885
0.7961 Intermediate Similarity NPC471888
0.7961 Intermediate Similarity NPC471886
0.7961 Intermediate Similarity NPC473523
0.7961 Intermediate Similarity NPC473198
0.7959 Intermediate Similarity NPC53555
0.7959 Intermediate Similarity NPC119379
0.7944 Intermediate Similarity NPC470076
0.7944 Intermediate Similarity NPC157474
0.7944 Intermediate Similarity NPC110494
0.7941 Intermediate Similarity NPC47566
0.7941 Intermediate Similarity NPC88000
0.7941 Intermediate Similarity NPC470054
0.7941 Intermediate Similarity NPC285231
0.7941 Intermediate Similarity NPC309425
0.7941 Intermediate Similarity NPC21568
0.7941 Intermediate Similarity NPC472023
0.7941 Intermediate Similarity NPC470434
0.7941 Intermediate Similarity NPC129372
0.7941 Intermediate Similarity NPC160734
0.7941 Intermediate Similarity NPC4831
0.7941 Intermediate Similarity NPC176406
0.7941 Intermediate Similarity NPC472554
0.7938 Intermediate Similarity NPC159876
0.7938 Intermediate Similarity NPC295668
0.7925 Intermediate Similarity NPC40728
0.7925 Intermediate Similarity NPC143706
0.7925 Intermediate Similarity NPC316974
0.7925 Intermediate Similarity NPC472534
0.7921 Intermediate Similarity NPC477928
0.7921 Intermediate Similarity NPC234287
0.7921 Intermediate Similarity NPC280825
0.7917 Intermediate Similarity NPC474668
0.7909 Intermediate Similarity NPC473968
0.7905 Intermediate Similarity NPC125423
0.7905 Intermediate Similarity NPC122816
0.7905 Intermediate Similarity NPC281939
0.7905 Intermediate Similarity NPC476594
0.7905 Intermediate Similarity NPC88013
0.7905 Intermediate Similarity NPC231340
0.79 Intermediate Similarity NPC88009
0.7885 Intermediate Similarity NPC222161
0.7885 Intermediate Similarity NPC152966
0.7885 Intermediate Similarity NPC273879
0.7885 Intermediate Similarity NPC187400
0.7885 Intermediate Similarity NPC470885
0.7885 Intermediate Similarity NPC471111
0.7885 Intermediate Similarity NPC221562
0.7885 Intermediate Similarity NPC165033
0.7879 Intermediate Similarity NPC105490
0.7879 Intermediate Similarity NPC211238
0.7872 Intermediate Similarity NPC46320
0.7872 Intermediate Similarity NPC83702
0.787 Intermediate Similarity NPC473125
0.787 Intermediate Similarity NPC473567
0.787 Intermediate Similarity NPC476305
0.787 Intermediate Similarity NPC216595
0.7864 Intermediate Similarity NPC300399
0.7864 Intermediate Similarity NPC471482
0.7864 Intermediate Similarity NPC472552
0.7864 Intermediate Similarity NPC471889
0.7864 Intermediate Similarity NPC470571
0.7864 Intermediate Similarity NPC228049
0.7864 Intermediate Similarity NPC52585
0.7864 Intermediate Similarity NPC470053
0.7864 Intermediate Similarity NPC37207
0.7864 Intermediate Similarity NPC68630
0.7864 Intermediate Similarity NPC121423
0.7864 Intermediate Similarity NPC177701
0.7864 Intermediate Similarity NPC472815
0.7857 Intermediate Similarity NPC114389
0.7857 Intermediate Similarity NPC289361
0.785 Intermediate Similarity NPC472717
0.7849 Intermediate Similarity NPC155521
0.7843 Intermediate Similarity NPC7341
0.7843 Intermediate Similarity NPC324598
0.7843 Intermediate Similarity NPC188968
0.7843 Intermediate Similarity NPC473200
0.7843 Intermediate Similarity NPC230546
0.7843 Intermediate Similarity NPC324841
0.7843 Intermediate Similarity NPC469942
0.7835 Intermediate Similarity NPC246028
0.7835 Intermediate Similarity NPC473058

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC26307 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
0.7611 Intermediate Similarity NPD7516 Approved
0.7522 Intermediate Similarity NPD7328 Approved
0.7522 Intermediate Similarity NPD7327 Approved
0.75 Intermediate Similarity NPD6686 Approved
0.7478 Intermediate Similarity NPD8033 Approved
0.7449 Intermediate Similarity NPD7524 Approved
0.7404 Intermediate Similarity NPD7638 Approved
0.7404 Intermediate Similarity NPD4225 Approved
0.7391 Intermediate Similarity NPD8294 Approved
0.7391 Intermediate Similarity NPD8377 Approved
0.7333 Intermediate Similarity NPD7640 Approved
0.7333 Intermediate Similarity NPD7639 Approved
0.7328 Intermediate Similarity NPD8378 Approved
0.7328 Intermediate Similarity NPD8296 Approved
0.7328 Intermediate Similarity NPD8335 Approved
0.7328 Intermediate Similarity NPD8379 Approved
0.7328 Intermediate Similarity NPD8380 Approved
0.7264 Intermediate Similarity NPD5344 Discontinued
0.7263 Intermediate Similarity NPD7525 Registered
0.7179 Intermediate Similarity NPD7503 Approved
0.7143 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7507 Approved
0.7041 Intermediate Similarity NPD6695 Phase 3
0.6937 Remote Similarity NPD6412 Phase 2
0.6911 Remote Similarity NPD7319 Approved
0.6893 Remote Similarity NPD3168 Discontinued
0.6875 Remote Similarity NPD5345 Clinical (unspecified phase)
0.687 Remote Similarity NPD8133 Approved
0.6852 Remote Similarity NPD6648 Approved
0.6842 Remote Similarity NPD6933 Approved
0.6814 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6804 Remote Similarity NPD7645 Phase 2
0.6789 Remote Similarity NPD4159 Approved
0.6765 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7750 Discontinued
0.6754 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6737 Remote Similarity NPD6942 Approved
0.6737 Remote Similarity NPD7339 Approved
0.6735 Remote Similarity NPD6930 Phase 2
0.6735 Remote Similarity NPD6931 Approved
0.6727 Remote Similarity NPD7632 Discontinued
0.6696 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6695 Remote Similarity NPD7115 Discovery
0.6667 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6059 Approved
0.6667 Remote Similarity NPD6054 Approved
0.6633 Remote Similarity NPD6929 Approved
0.6632 Remote Similarity NPD6924 Approved
0.6632 Remote Similarity NPD6926 Approved
0.6612 Remote Similarity NPD8516 Approved
0.6612 Remote Similarity NPD8517 Approved
0.6612 Remote Similarity NPD8515 Approved
0.6612 Remote Similarity NPD8513 Phase 3
0.6606 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6571 Remote Similarity NPD46 Approved
0.6571 Remote Similarity NPD6698 Approved
0.6566 Remote Similarity NPD7509 Discontinued
0.6566 Remote Similarity NPD7514 Phase 3
0.6566 Remote Similarity NPD7332 Phase 2
0.6557 Remote Similarity NPD6370 Approved
0.6509 Remote Similarity NPD7087 Discontinued
0.6491 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6476 Remote Similarity NPD6051 Approved
0.6475 Remote Similarity NPD6015 Approved
0.6475 Remote Similarity NPD6016 Approved
0.6452 Remote Similarity NPD7492 Approved
0.6449 Remote Similarity NPD6399 Phase 3
0.6441 Remote Similarity NPD4632 Approved
0.6429 Remote Similarity NPD6932 Approved
0.6429 Remote Similarity NPD5776 Phase 2
0.6429 Remote Similarity NPD6925 Approved
0.6423 Remote Similarity NPD5988 Approved
0.6423 Remote Similarity NPD5126 Approved
0.6423 Remote Similarity NPD5125 Phase 3
0.6417 Remote Similarity NPD6009 Approved
0.6417 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6415 Remote Similarity NPD7838 Discovery
0.6408 Remote Similarity NPD6893 Approved
0.6404 Remote Similarity NPD5357 Phase 1
0.6404 Remote Similarity NPD6640 Phase 3
0.64 Remote Similarity NPD6928 Phase 2
0.64 Remote Similarity NPD6616 Approved
0.6392 Remote Similarity NPD8264 Approved
0.6371 Remote Similarity NPD8328 Phase 3
0.6371 Remote Similarity NPD6067 Discontinued
0.6364 Remote Similarity NPD7145 Approved
0.6364 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6355 Remote Similarity NPD7637 Suspended
0.6349 Remote Similarity NPD8293 Discontinued
0.6349 Remote Similarity NPD8074 Phase 3
0.6349 Remote Similarity NPD7078 Approved
0.6337 Remote Similarity NPD6898 Phase 1
0.6337 Remote Similarity NPD6902 Approved
0.6325 Remote Similarity NPD6371 Approved
0.6311 Remote Similarity NPD4786 Approved
0.6311 Remote Similarity NPD6400 Clinical (unspecified phase)
0.63 Remote Similarity NPD6683 Phase 2
0.6299 Remote Similarity NPD7736 Approved
0.6299 Remote Similarity NPD6033 Approved
0.6296 Remote Similarity NPD8171 Discontinued
0.6289 Remote Similarity NPD1810 Approved
0.6289 Remote Similarity NPD1811 Approved
0.6275 Remote Similarity NPD3667 Approved
0.6261 Remote Similarity NPD6402 Approved
0.6261 Remote Similarity NPD6008 Approved
0.6261 Remote Similarity NPD5739 Approved
0.6261 Remote Similarity NPD6675 Approved
0.6261 Remote Similarity NPD7128 Approved
0.626 Remote Similarity NPD6319 Approved
0.625 Remote Similarity NPD7151 Approved
0.625 Remote Similarity NPD7152 Approved
0.625 Remote Similarity NPD7150 Approved
0.6239 Remote Similarity NPD7748 Approved
0.6232 Remote Similarity NPD7625 Phase 1
0.6218 Remote Similarity NPD6882 Approved
0.6218 Remote Similarity NPD6053 Discontinued
0.6218 Remote Similarity NPD8297 Approved
0.6216 Remote Similarity NPD7902 Approved
0.6211 Remote Similarity NPD6922 Approved
0.6211 Remote Similarity NPD6923 Approved
0.621 Remote Similarity NPD6921 Approved
0.6207 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6204 Remote Similarity NPD7515 Phase 2
0.619 Remote Similarity NPD3618 Phase 1
0.6168 Remote Similarity NPD5328 Approved
0.6154 Remote Similarity NPD6881 Approved
0.6154 Remote Similarity NPD7320 Approved
0.6154 Remote Similarity NPD6899 Approved
0.6147 Remote Similarity NPD4202 Approved
0.6146 Remote Similarity NPD7144 Approved
0.6146 Remote Similarity NPD7143 Approved
0.6122 Remote Similarity NPD4785 Approved
0.6122 Remote Similarity NPD4784 Approved
0.6117 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6111 Remote Similarity NPD7604 Phase 2
0.6107 Remote Similarity NPD8449 Approved
0.6102 Remote Similarity NPD6372 Approved
0.6102 Remote Similarity NPD6373 Approved
0.6082 Remote Similarity NPD4243 Approved
0.608 Remote Similarity NPD5983 Phase 2
0.6078 Remote Similarity NPD4748 Discontinued
0.6071 Remote Similarity NPD4755 Approved
0.6068 Remote Similarity NPD5697 Approved
0.6068 Remote Similarity NPD5701 Approved
0.6061 Remote Similarity NPD8450 Suspended
0.6055 Remote Similarity NPD6079 Approved
0.6055 Remote Similarity NPD6411 Approved
0.6055 Remote Similarity NPD8035 Phase 2
0.6055 Remote Similarity NPD8034 Phase 2
0.605 Remote Similarity NPD7102 Approved
0.605 Remote Similarity NPD6883 Approved
0.605 Remote Similarity NPD7290 Approved
0.605 Remote Similarity NPD4634 Approved
0.6042 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6022 Remote Similarity NPD371 Approved
0.6017 Remote Similarity NPD6011 Approved
0.6016 Remote Similarity NPD6336 Discontinued
0.6 Remote Similarity NPD6617 Approved
0.6 Remote Similarity NPD6869 Approved
0.6 Remote Similarity NPD5211 Phase 2
0.6 Remote Similarity NPD8130 Phase 1
0.6 Remote Similarity NPD7741 Discontinued
0.6 Remote Similarity NPD6650 Approved
0.6 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6 Remote Similarity NPD5779 Approved
0.6 Remote Similarity NPD5778 Approved
0.6 Remote Similarity NPD6649 Approved
0.6 Remote Similarity NPD6847 Approved
0.6 Remote Similarity NPD3653 Clinical (unspecified phase)
0.5979 Remote Similarity NPD2686 Approved
0.5979 Remote Similarity NPD2687 Approved
0.5979 Remote Similarity NPD2254 Approved
0.5979 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5966 Remote Similarity NPD6013 Approved
0.5966 Remote Similarity NPD6014 Approved
0.5966 Remote Similarity NPD6012 Approved
0.5965 Remote Similarity NPD4696 Approved
0.5965 Remote Similarity NPD4700 Approved
0.5965 Remote Similarity NPD5285 Approved
0.5965 Remote Similarity NPD5286 Approved
0.5946 Remote Similarity NPD7900 Approved
0.5946 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5946 Remote Similarity NPD5282 Discontinued
0.5943 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6084 Phase 2
0.5929 Remote Similarity NPD6083 Phase 2
0.5913 Remote Similarity NPD5223 Approved
0.5909 Remote Similarity NPD7983 Approved
0.5897 Remote Similarity NPD5141 Approved
0.5872 Remote Similarity NPD6101 Approved
0.5872 Remote Similarity NPD5764 Clinical (unspecified phase)
0.587 Remote Similarity NPD1145 Discontinued
0.5862 Remote Similarity NPD5224 Approved
0.5862 Remote Similarity NPD4633 Approved
0.5862 Remote Similarity NPD5226 Approved
0.5862 Remote Similarity NPD5225 Approved
0.5849 Remote Similarity NPD3133 Approved
0.5849 Remote Similarity NPD3665 Phase 1
0.5849 Remote Similarity NPD3666 Approved

Structure

External Identifiers

PubChem CID   16099431
ChEMBL   CHEMBL522637
ZINC  

Physicochemical Properties

Molecular Weight:  490.37
ALogP:  0.7558
MLogP:  4.21
XLogP:  5.668
# Rotatable Bonds:  13
Polar Surface Area:  68.15
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  35

Download Data

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Biological Activities  
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