Natural Product: NPC473058

Natural Product ID:  NPC473058
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H40O5
Standard InCHIKey:  DBECRELNMQGQOD-ZIJANGFLSA-N
Standard InCHI:  InChI=1S/C25H40O5/c1-5-23(2)12-9-17-16(13-23)7-8-19-24(3,10-6-11-25(17,19)4)15-29-22-21(28)20(27)18(14-26)30-22/h5,7,17-22,26-28H,1,6,8-15H2,2-4H3/t17-,18-,19-,20-,21+,22+,23-,24+,25+/m0/s1
Canonical SMILES:  OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)OC[C@@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CC[C@](C1)(C)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
NPO33419 sagittaria latifolia Species Alismataceae Eukaryota PMID[26371504]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT857 Cell Line LLC-PK1 Sus scrofa IC50 = 21.5 ug/ml 15217273
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 30 ug/ml Open TG-GATES in vivo data: Hematology
NPT3665 Organism Cryptococcus bacillisporus Cryptococcus gattii IC50 = 1.8 ug/ml 19095451
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC > 20 ug/ml 16643022
NPT3665 Organism Cryptococcus bacillisporus Cryptococcus gattii MIC = 20 ug/ml 21854078
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans IC50 = 3.7 ug/ml 21854078

  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 NPC473058 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
0.9881 High Similarity NPC159876
0.9432 High Similarity NPC230347
0.9432 High Similarity NPC275310
0.9432 High Similarity NPC286612
0.9111 High Similarity NPC207617
0.9101 High Similarity NPC305160
0.8989 High Similarity NPC91654
0.8989 High Similarity NPC474792
0.8989 High Similarity NPC67398
0.8913 High Similarity NPC5358
0.8913 High Similarity NPC158088
0.8913 High Similarity NPC216260
0.8876 High Similarity NPC302584
0.8804 High Similarity NPC473890
0.8804 High Similarity NPC243728
0.8723 High Similarity NPC21568
0.8723 High Similarity NPC21064
0.8723 High Similarity NPC285231
0.8723 High Similarity NPC267510
0.8723 High Similarity NPC121072
0.8721 High Similarity NPC166279
0.8721 High Similarity NPC319238
0.8681 High Similarity NPC477927
0.8681 High Similarity NPC211238
0.8681 High Similarity NPC72817
0.8632 High Similarity NPC154452
0.8632 High Similarity NPC272015
0.8617 High Similarity NPC324598
0.8617 High Similarity NPC469942
0.8617 High Similarity NPC282669
0.8602 High Similarity NPC125551
0.8602 High Similarity NPC96597
0.8602 High Similarity NPC91197
0.8602 High Similarity NPC309503
0.8602 High Similarity NPC239547
0.8602 High Similarity NPC240372
0.8602 High Similarity NPC155319
0.8526 High Similarity NPC470434
0.8523 High Similarity NPC470836
0.8511 High Similarity NPC280825
0.8511 High Similarity NPC234287
0.8495 Intermediate Similarity NPC90583
0.8462 Intermediate Similarity NPC48463
0.8454 Intermediate Similarity NPC100955
0.8454 Intermediate Similarity NPC121566
0.8454 Intermediate Similarity NPC31430
0.8454 Intermediate Similarity NPC85593
0.8421 Intermediate Similarity NPC473790
0.8421 Intermediate Similarity NPC473200
0.8421 Intermediate Similarity NPC7341
0.8367 Intermediate Similarity NPC63023
0.8367 Intermediate Similarity NPC95243
0.8367 Intermediate Similarity NPC26798
0.8367 Intermediate Similarity NPC181845
0.8351 Intermediate Similarity NPC213190
0.8351 Intermediate Similarity NPC473129
0.8351 Intermediate Similarity NPC99627
0.8333 Intermediate Similarity NPC4831
0.8333 Intermediate Similarity NPC472023
0.8333 Intermediate Similarity NPC263756
0.8333 Intermediate Similarity NPC319030
0.8333 Intermediate Similarity NPC160734
0.8333 Intermediate Similarity NPC309425
0.8333 Intermediate Similarity NPC47566
0.8333 Intermediate Similarity NPC129372
0.8333 Intermediate Similarity NPC117714
0.8333 Intermediate Similarity NPC88000
0.8316 Intermediate Similarity NPC309493
0.8316 Intermediate Similarity NPC477928
0.8283 Intermediate Similarity NPC305423
0.8283 Intermediate Similarity NPC230507
0.8283 Intermediate Similarity NPC113044
0.8283 Intermediate Similarity NPC161676
0.8283 Intermediate Similarity NPC226642
0.8283 Intermediate Similarity NPC33053
0.8283 Intermediate Similarity NPC470432
0.8283 Intermediate Similarity NPC14704
0.8283 Intermediate Similarity NPC283829
0.828 Intermediate Similarity NPC96736
0.828 Intermediate Similarity NPC178949
0.8265 Intermediate Similarity NPC57065
0.8265 Intermediate Similarity NPC470885
0.8265 Intermediate Similarity NPC109792
0.8265 Intermediate Similarity NPC475365
0.8265 Intermediate Similarity NPC187400
0.8265 Intermediate Similarity NPC75608
0.8265 Intermediate Similarity NPC221562
0.8265 Intermediate Similarity NPC54521
0.8265 Intermediate Similarity NPC93352
0.8256 Intermediate Similarity NPC100697
0.8247 Intermediate Similarity NPC256133
0.8247 Intermediate Similarity NPC312553
0.8247 Intermediate Similarity NPC288694
0.8247 Intermediate Similarity NPC213674
0.8247 Intermediate Similarity NPC76497
0.8247 Intermediate Similarity NPC30289
0.8247 Intermediate Similarity NPC470571
0.8247 Intermediate Similarity NPC136816
0.8247 Intermediate Similarity NPC159036
0.8242 Intermediate Similarity NPC309310
0.8242 Intermediate Similarity NPC477917
0.8242 Intermediate Similarity NPC470819
0.8229 Intermediate Similarity NPC64348
0.8218 Intermediate Similarity NPC191439
0.8218 Intermediate Similarity NPC170974
0.8218 Intermediate Similarity NPC103627
0.82 Intermediate Similarity NPC476539
0.82 Intermediate Similarity NPC80210
0.82 Intermediate Similarity NPC476538
0.82 Intermediate Similarity NPC476540
0.82 Intermediate Similarity NPC38376
0.82 Intermediate Similarity NPC98696
0.82 Intermediate Similarity NPC476541
0.8191 Intermediate Similarity NPC135224
0.8191 Intermediate Similarity NPC100892
0.8191 Intermediate Similarity NPC477970
0.8191 Intermediate Similarity NPC477969
0.8182 Intermediate Similarity NPC473476
0.8182 Intermediate Similarity NPC309448
0.8182 Intermediate Similarity NPC473923
0.8182 Intermediate Similarity NPC242748
0.8182 Intermediate Similarity NPC474569
0.8172 Intermediate Similarity NPC474835
0.8163 Intermediate Similarity NPC8039
0.8163 Intermediate Similarity NPC473198
0.8163 Intermediate Similarity NPC189852
0.8163 Intermediate Similarity NPC286969
0.8163 Intermediate Similarity NPC31907
0.8163 Intermediate Similarity NPC16573
0.8163 Intermediate Similarity NPC473020
0.8163 Intermediate Similarity NPC472252
0.8163 Intermediate Similarity NPC16520
0.8163 Intermediate Similarity NPC131479
0.8163 Intermediate Similarity NPC157659
0.8163 Intermediate Similarity NPC155010
0.8163 Intermediate Similarity NPC471887
0.8163 Intermediate Similarity NPC245280
0.8163 Intermediate Similarity NPC123796
0.8163 Intermediate Similarity NPC471886
0.8163 Intermediate Similarity NPC114874
0.8163 Intermediate Similarity NPC471888
0.8163 Intermediate Similarity NPC211879
0.8163 Intermediate Similarity NPC471885
0.8163 Intermediate Similarity NPC120123
0.8163 Intermediate Similarity NPC473124
0.8163 Intermediate Similarity NPC162354
0.8163 Intermediate Similarity NPC475701
0.8163 Intermediate Similarity NPC473123
0.8152 Intermediate Similarity NPC261990
0.8152 Intermediate Similarity NPC474249
0.8152 Intermediate Similarity NPC470817
0.8144 Intermediate Similarity NPC280991
0.8137 Intermediate Similarity NPC65034
0.8137 Intermediate Similarity NPC208189
0.8132 Intermediate Similarity NPC263079
0.8119 Intermediate Similarity NPC218571
0.8119 Intermediate Similarity NPC46190
0.8119 Intermediate Similarity NPC6806
0.8119 Intermediate Similarity NPC221110
0.8119 Intermediate Similarity NPC232054
0.8119 Intermediate Similarity NPC70204
0.8119 Intermediate Similarity NPC14630
0.8119 Intermediate Similarity NPC95051
0.8119 Intermediate Similarity NPC306131
0.8119 Intermediate Similarity NPC473318
0.8119 Intermediate Similarity NPC73243
0.8119 Intermediate Similarity NPC477026
0.8119 Intermediate Similarity NPC208383
0.8119 Intermediate Similarity NPC285253
0.8119 Intermediate Similarity NPC40440
0.8119 Intermediate Similarity NPC475550
0.8119 Intermediate Similarity NPC84956
0.8119 Intermediate Similarity NPC250089
0.8119 Intermediate Similarity NPC248746
0.8119 Intermediate Similarity NPC249265
0.8119 Intermediate Similarity NPC22779
0.8119 Intermediate Similarity NPC28844
0.8119 Intermediate Similarity NPC244086
0.8119 Intermediate Similarity NPC195116
0.8119 Intermediate Similarity NPC102016
0.8119 Intermediate Similarity NPC224098
0.8119 Intermediate Similarity NPC171073
0.8119 Intermediate Similarity NPC157530
0.8119 Intermediate Similarity NPC309278
0.8119 Intermediate Similarity NPC470433
0.8119 Intermediate Similarity NPC194207
0.8119 Intermediate Similarity NPC42482
0.8119 Intermediate Similarity NPC475333
0.8119 Intermediate Similarity NPC477809
0.8119 Intermediate Similarity NPC180459
0.8119 Intermediate Similarity NPC477027
0.8119 Intermediate Similarity NPC150372
0.8119 Intermediate Similarity NPC473328
0.8119 Intermediate Similarity NPC475670
0.8119 Intermediate Similarity NPC300557
0.8111 Intermediate Similarity NPC173917
0.81 Intermediate Similarity NPC257964
0.81 Intermediate Similarity NPC94272
0.81 Intermediate Similarity NPC190395
0.81 Intermediate Similarity NPC293512

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473058 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
0.81 Intermediate Similarity NPD6412 Phase 2
0.767 Intermediate Similarity NPD6686 Approved
0.7333 Intermediate Similarity NPD7645 Phase 2
0.7321 Intermediate Similarity NPD7503 Approved
0.7273 Intermediate Similarity NPD7339 Approved
0.7273 Intermediate Similarity NPD6942 Approved
0.7264 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD7524 Approved
0.7257 Intermediate Similarity NPD6370 Approved
0.7253 Intermediate Similarity NPD7525 Registered
0.7207 Intermediate Similarity NPD7328 Approved
0.7207 Intermediate Similarity NPD7327 Approved
0.7191 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7516 Approved
0.7128 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD8294 Approved
0.708 Intermediate Similarity NPD8377 Approved
0.708 Intermediate Similarity NPD6054 Approved
0.7021 Intermediate Similarity NPD6695 Phase 3
0.7018 Intermediate Similarity NPD8296 Approved
0.7018 Intermediate Similarity NPD8380 Approved
0.7018 Intermediate Similarity NPD8379 Approved
0.7018 Intermediate Similarity NPD8378 Approved
0.7018 Intermediate Similarity NPD8033 Approved
0.7018 Intermediate Similarity NPD8335 Approved
0.7 Intermediate Similarity NPD6933 Approved
0.6949 Remote Similarity NPD7736 Approved
0.693 Remote Similarity NPD6059 Approved
0.69 Remote Similarity NPD8171 Discontinued
0.69 Remote Similarity NPD6399 Phase 3
0.6897 Remote Similarity NPD8328 Phase 3
0.6897 Remote Similarity NPD6067 Discontinued
0.687 Remote Similarity NPD6015 Approved
0.687 Remote Similarity NPD6016 Approved
0.6864 Remote Similarity NPD8293 Discontinued
0.6847 Remote Similarity NPD8133 Approved
0.6838 Remote Similarity NPD7492 Approved
0.6814 Remote Similarity NPD8295 Clinical (unspecified phase)
0.681 Remote Similarity NPD5988 Approved
0.678 Remote Similarity NPD6616 Approved
0.678 Remote Similarity NPD7507 Approved
0.6778 Remote Similarity NPD6926 Approved
0.6778 Remote Similarity NPD6924 Approved
0.6778 Remote Similarity NPD4784 Approved
0.6778 Remote Similarity NPD4785 Approved
0.6774 Remote Similarity NPD6929 Approved
0.6771 Remote Similarity NPD4786 Approved
0.6757 Remote Similarity NPD6882 Approved
0.6742 Remote Similarity NPD4243 Approved
0.6739 Remote Similarity NPD6932 Approved
0.6737 Remote Similarity NPD3667 Approved
0.6735 Remote Similarity NPD7750 Discontinued
0.6731 Remote Similarity NPD7638 Approved
0.6731 Remote Similarity NPD4225 Approved
0.6723 Remote Similarity NPD7078 Approved
0.6721 Remote Similarity NPD8449 Approved
0.6702 Remote Similarity NPD6931 Approved
0.6702 Remote Similarity NPD6930 Phase 2
0.6667 Remote Similarity NPD7145 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD6009 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD8450 Suspended
0.6635 Remote Similarity NPD6084 Phase 2
0.6635 Remote Similarity NPD6083 Phase 2
0.6629 Remote Similarity NPD7144 Approved
0.6629 Remote Similarity NPD7143 Approved
0.6612 Remote Similarity NPD7319 Approved
0.6607 Remote Similarity NPD8297 Approved
0.6598 Remote Similarity NPD3666 Approved
0.6598 Remote Similarity NPD3133 Approved
0.6598 Remote Similarity NPD3665 Phase 1
0.6598 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6566 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6559 Remote Similarity NPD6925 Approved
0.6559 Remote Similarity NPD5776 Phase 2
0.6556 Remote Similarity NPD7151 Approved
0.6556 Remote Similarity NPD7150 Approved
0.6556 Remote Similarity NPD7152 Approved
0.6549 Remote Similarity NPD4632 Approved
0.6545 Remote Similarity NPD6881 Approved
0.6545 Remote Similarity NPD6899 Approved
0.6526 Remote Similarity NPD7332 Phase 2
0.6526 Remote Similarity NPD7514 Phase 3
0.6526 Remote Similarity NPD6928 Phase 2
0.6526 Remote Similarity NPD7509 Discontinued
0.6517 Remote Similarity NPD6923 Approved
0.6517 Remote Similarity NPD6922 Approved
0.6514 Remote Similarity NPD7128 Approved
0.6514 Remote Similarity NPD6675 Approved
0.6514 Remote Similarity NPD6402 Approved
0.6514 Remote Similarity NPD5739 Approved
0.6505 Remote Similarity NPD7748 Approved
0.6496 Remote Similarity NPD6319 Approved
0.6486 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6476 Remote Similarity NPD7902 Approved
0.6471 Remote Similarity NPD7087 Discontinued
0.6471 Remote Similarity NPD6411 Approved
0.6471 Remote Similarity NPD7637 Suspended
0.6471 Remote Similarity NPD7515 Phase 2
0.6471 Remote Similarity NPD6079 Approved
0.6465 Remote Similarity NPD7146 Approved
0.6465 Remote Similarity NPD5330 Approved
0.6465 Remote Similarity NPD6684 Approved
0.6465 Remote Similarity NPD7521 Approved
0.6465 Remote Similarity NPD3618 Phase 1
0.6465 Remote Similarity NPD7334 Approved
0.6465 Remote Similarity NPD6409 Approved
0.6458 Remote Similarity NPD6902 Approved
0.6455 Remote Similarity NPD5697 Approved
0.6441 Remote Similarity NPD8517 Approved
0.6441 Remote Similarity NPD8516 Approved
0.6441 Remote Similarity NPD8515 Approved
0.6441 Remote Similarity NPD8513 Phase 3
0.6436 Remote Similarity NPD6051 Approved
0.6436 Remote Similarity NPD4753 Phase 2
0.6436 Remote Similarity NPD5328 Approved
0.6429 Remote Similarity NPD6883 Approved
0.6429 Remote Similarity NPD7290 Approved
0.6429 Remote Similarity NPD7102 Approved
0.6423 Remote Similarity NPD5956 Approved
0.6421 Remote Similarity NPD4195 Approved
0.6421 Remote Similarity NPD6683 Phase 2
0.6413 Remote Similarity NPD1810 Approved
0.6413 Remote Similarity NPD1811 Approved
0.6396 Remote Similarity NPD7320 Approved
0.6393 Remote Similarity NPD6033 Approved
0.6387 Remote Similarity NPD5125 Phase 3
0.6387 Remote Similarity NPD5126 Approved
0.6379 Remote Similarity NPD7115 Discovery
0.6373 Remote Similarity NPD3168 Discontinued
0.6372 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6372 Remote Similarity NPD6649 Approved
0.6372 Remote Similarity NPD6869 Approved
0.6372 Remote Similarity NPD6847 Approved
0.6372 Remote Similarity NPD6617 Approved
0.6372 Remote Similarity NPD6650 Approved
0.6372 Remote Similarity NPD8130 Phase 1
0.6364 Remote Similarity NPD6893 Approved
0.6355 Remote Similarity NPD5286 Approved
0.6355 Remote Similarity NPD5285 Approved
0.6355 Remote Similarity NPD4696 Approved
0.6353 Remote Similarity NPD1145 Discontinued
0.6344 Remote Similarity NPD4190 Phase 3
0.6344 Remote Similarity NPD5275 Approved
0.6344 Remote Similarity NPD8264 Approved
0.6339 Remote Similarity NPD6014 Approved
0.6339 Remote Similarity NPD6012 Approved
0.6339 Remote Similarity NPD6373 Approved
0.6339 Remote Similarity NPD6013 Approved
0.6339 Remote Similarity NPD6372 Approved
0.6337 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6337 Remote Similarity NPD5737 Approved
0.6337 Remote Similarity NPD6903 Approved
0.6337 Remote Similarity NPD6672 Approved
0.6321 Remote Similarity NPD4755 Approved
0.6316 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6306 Remote Similarity NPD5701 Approved
0.6296 Remote Similarity NPD5344 Discontinued
0.6289 Remote Similarity NPD6898 Phase 1
0.6286 Remote Similarity NPD5695 Phase 3
0.6286 Remote Similarity NPD5210 Approved
0.6286 Remote Similarity NPD4629 Approved
0.6283 Remote Similarity NPD4634 Approved
0.6275 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6275 Remote Similarity NPD6101 Approved
0.6273 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6263 Remote Similarity NPD3668 Phase 3
0.6262 Remote Similarity NPD5696 Approved
0.625 Remote Similarity NPD6011 Approved
0.625 Remote Similarity NPD4202 Approved
0.625 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6239 Remote Similarity NPD5224 Approved
0.6239 Remote Similarity NPD5226 Approved
0.6239 Remote Similarity NPD5211 Phase 2
0.6239 Remote Similarity NPD5225 Approved
0.6239 Remote Similarity NPD4633 Approved
0.6226 Remote Similarity NPD5222 Approved
0.6226 Remote Similarity NPD5221 Approved
0.6226 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6214 Remote Similarity NPD7838 Discovery
0.6204 Remote Similarity NPD4700 Approved
0.6198 Remote Similarity NPD7604 Phase 2
0.619 Remote Similarity NPD7901 Clinical (unspecified phase)
0.619 Remote Similarity NPD7900 Approved
0.6186 Remote Similarity NPD4748 Discontinued
0.6182 Remote Similarity NPD5174 Approved
0.6182 Remote Similarity NPD5175 Approved
0.6168 Remote Similarity NPD5173 Approved
0.6167 Remote Similarity NPD5983 Phase 2
0.6154 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6154 Remote Similarity NPD8034 Phase 2
0.6154 Remote Similarity NPD8035 Phase 2
0.6147 Remote Similarity NPD4159 Approved
0.6147 Remote Similarity NPD5223 Approved
0.614 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6139 Remote Similarity NPD5279 Phase 3
0.6126 Remote Similarity NPD5141 Approved
0.6111 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6336 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3608618
ZINC  

Physicochemical Properties

Molecular Weight:  420.29
ALogP:  0.523
MLogP:  3.66
XLogP:  5.758
# Rotatable Bonds:  11
Polar Surface Area:  79.15
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  30

Download Data

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