Natural Product: NPC474900

Natural Product ID:  NPC474900
Common Name:   Peroxygibberol
IUPAC Name:  
Synonyms:   Peroxygibberol
Molecular Formula:   C15H24O3
Standard InCHIKey:  SKFOIZZOJVDBEP-ATGSNQNLSA-N
Standard InCHI:  InChI=1S/C15H24O3/c1-10(2)14-6-5-11(3)15(18-17-14)8-7-13(4,16)12(15)9-14/h9-11,16H,5-8H2,1-4H3/t11-,13+,14-,15-/m0/s1
Canonical SMILES:  CC([C@@]12CC[C@@H]([C@]3(OO1)C(=C2)[C@](C)(O)CC3)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
NPO25026 Sinularia gibberosa Species Alcyoniidae Eukaryota PMID[16124762]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 = 8.2 ug/ml 18443129
NPT2 Others Unspecified ED50 = 8.2 ug/ml 19506058

  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 NPC474900 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
0.806 Intermediate Similarity NPC63111
0.7971 Intermediate Similarity NPC261782
0.7971 Intermediate Similarity NPC469326
0.7971 Intermediate Similarity NPC205618
0.7534 Intermediate Similarity NPC144647
0.75 Intermediate Similarity NPC310228
0.75 Intermediate Similarity NPC136813
0.75 Intermediate Similarity NPC52431
0.7463 Intermediate Similarity NPC278550
0.7432 Intermediate Similarity NPC471781
0.7403 Intermediate Similarity NPC126969
0.7397 Intermediate Similarity NPC167527
0.7361 Intermediate Similarity NPC230107
0.7333 Intermediate Similarity NPC471660
0.7273 Intermediate Similarity NPC85831
0.7273 Intermediate Similarity NPC265921
0.7273 Intermediate Similarity NPC215215
0.725 Intermediate Similarity NPC186072
0.7246 Intermediate Similarity NPC469321
0.72 Intermediate Similarity NPC470041
0.7183 Intermediate Similarity NPC474480
0.7179 Intermediate Similarity NPC152017
0.7162 Intermediate Similarity NPC224532
0.716 Intermediate Similarity NPC15978
0.7143 Intermediate Similarity NPC66020
0.7143 Intermediate Similarity NPC135648
0.7143 Intermediate Similarity NPC471659
0.7125 Intermediate Similarity NPC66677
0.7125 Intermediate Similarity NPC84185
0.7125 Intermediate Similarity NPC471890
0.7093 Intermediate Similarity NPC299527
0.7083 Intermediate Similarity NPC300593
0.7051 Intermediate Similarity NPC133580
0.7042 Intermediate Similarity NPC210346
0.7027 Intermediate Similarity NPC477791
0.7027 Intermediate Similarity NPC73603
0.7015 Intermediate Similarity NPC168518
0.7015 Intermediate Similarity NPC105780
0.7 Intermediate Similarity NPC5698
0.7 Intermediate Similarity NPC470944
0.6986 Remote Similarity NPC471200
0.6974 Remote Similarity NPC254845
0.6962 Remote Similarity NPC471658
0.6951 Remote Similarity NPC471661
0.6944 Remote Similarity NPC473508
0.6944 Remote Similarity NPC174956
0.6923 Remote Similarity NPC309178
0.6923 Remote Similarity NPC190859
0.6905 Remote Similarity NPC116613
0.6901 Remote Similarity NPC252809
0.6901 Remote Similarity NPC323153
0.6901 Remote Similarity NPC240506
0.6892 Remote Similarity NPC311736
0.6892 Remote Similarity NPC267027
0.6883 Remote Similarity NPC471662
0.6883 Remote Similarity NPC41886
0.6875 Remote Similarity NPC476703
0.6867 Remote Similarity NPC133844
0.6866 Remote Similarity NPC192962
0.6849 Remote Similarity NPC309300
0.6842 Remote Similarity NPC304690
0.6842 Remote Similarity NPC74722
0.6835 Remote Similarity NPC60818
0.6835 Remote Similarity NPC23231
0.6829 Remote Similarity NPC324772
0.6812 Remote Similarity NPC274396
0.6806 Remote Similarity NPC321867
0.6806 Remote Similarity NPC207007
0.6806 Remote Similarity NPC68679
0.68 Remote Similarity NPC82337
0.68 Remote Similarity NPC163290
0.68 Remote Similarity NPC472255
0.68 Remote Similarity NPC472253
0.6795 Remote Similarity NPC14352
0.6795 Remote Similarity NPC234527
0.679 Remote Similarity NPC469324
0.6786 Remote Similarity NPC471340
0.6761 Remote Similarity NPC475931
0.6753 Remote Similarity NPC133873
0.675 Remote Similarity NPC170148
0.675 Remote Similarity NPC310643
0.6747 Remote Similarity NPC320525
0.6744 Remote Similarity NPC152808
0.6744 Remote Similarity NPC293287
0.6716 Remote Similarity NPC157781
0.6716 Remote Similarity NPC35519
0.6716 Remote Similarity NPC181255
0.6716 Remote Similarity NPC179169
0.6716 Remote Similarity NPC40417
0.6716 Remote Similarity NPC306195
0.6716 Remote Similarity NPC294358
0.6712 Remote Similarity NPC81615
0.6709 Remote Similarity NPC206875
0.6707 Remote Similarity NPC204270
0.6706 Remote Similarity NPC290052
0.6705 Remote Similarity NPC101886
0.6667 Remote Similarity NPC99487
0.6667 Remote Similarity NPC304083
0.6667 Remote Similarity NPC191283
0.6667 Remote Similarity NPC272293
0.6667 Remote Similarity NPC471454
0.6667 Remote Similarity NPC23954
0.6667 Remote Similarity NPC40821
0.6667 Remote Similarity NPC31037
0.6667 Remote Similarity NPC32862
0.6667 Remote Similarity NPC476439
0.6667 Remote Similarity NPC272125
0.6667 Remote Similarity NPC472465
0.6667 Remote Similarity NPC469328
0.6667 Remote Similarity NPC162309
0.6667 Remote Similarity NPC469343
0.6629 Remote Similarity NPC14380
0.6628 Remote Similarity NPC146850
0.6628 Remote Similarity NPC287015
0.6625 Remote Similarity NPC32832
0.6625 Remote Similarity NPC313185
0.6623 Remote Similarity NPC239373
0.6623 Remote Similarity NPC329989
0.6593 Remote Similarity NPC473258
0.6591 Remote Similarity NPC475605
0.6591 Remote Similarity NPC212596
0.6591 Remote Similarity NPC4574
0.6588 Remote Similarity NPC320548
0.6585 Remote Similarity NPC477089
0.6585 Remote Similarity NPC475980
0.6582 Remote Similarity NPC265485
0.6582 Remote Similarity NPC220939
0.6582 Remote Similarity NPC476709
0.6582 Remote Similarity NPC259049
0.6579 Remote Similarity NPC259299
0.6575 Remote Similarity NPC15152
0.6567 Remote Similarity NPC26906
0.6567 Remote Similarity NPC214584
0.6552 Remote Similarity NPC6391
0.6552 Remote Similarity NPC299068
0.6552 Remote Similarity NPC477668
0.6548 Remote Similarity NPC171665
0.6548 Remote Similarity NPC209620
0.6548 Remote Similarity NPC23852
0.6543 Remote Similarity NPC25908
0.6543 Remote Similarity NPC141346
0.6543 Remote Similarity NPC142759
0.6543 Remote Similarity NPC124289
0.6543 Remote Similarity NPC476317
0.6543 Remote Similarity NPC115719
0.6543 Remote Similarity NPC473437
0.6533 Remote Similarity NPC238352
0.6533 Remote Similarity NPC477009
0.6533 Remote Similarity NPC61503
0.6533 Remote Similarity NPC19569
0.6533 Remote Similarity NPC187619
0.6528 Remote Similarity NPC99480
0.6528 Remote Similarity NPC122239
0.6528 Remote Similarity NPC184049
0.6517 Remote Similarity NPC470361
0.6512 Remote Similarity NPC37005
0.6512 Remote Similarity NPC16887
0.6512 Remote Similarity NPC53011
0.6512 Remote Similarity NPC154893
0.6506 Remote Similarity NPC476701
0.65 Remote Similarity NPC306727
0.6494 Remote Similarity NPC305698
0.6494 Remote Similarity NPC471238
0.6486 Remote Similarity NPC211291
0.6486 Remote Similarity NPC133368
0.6471 Remote Similarity NPC68014
0.6471 Remote Similarity NPC50964
0.6471 Remote Similarity NPC92226
0.6463 Remote Similarity NPC475027
0.6463 Remote Similarity NPC475025
0.6463 Remote Similarity NPC474230
0.6456 Remote Similarity NPC471272
0.6456 Remote Similarity NPC477792
0.6447 Remote Similarity NPC202017
0.6447 Remote Similarity NPC279434
0.6447 Remote Similarity NPC326310
0.6444 Remote Similarity NPC204188
0.6444 Remote Similarity NPC470390
0.6444 Remote Similarity NPC245410
0.6444 Remote Similarity NPC197107
0.6444 Remote Similarity NPC11216
0.6444 Remote Similarity NPC291484
0.6444 Remote Similarity NPC192437
0.6444 Remote Similarity NPC270511
0.6444 Remote Similarity NPC329596
0.6444 Remote Similarity NPC80561
0.6444 Remote Similarity NPC3345
0.6438 Remote Similarity NPC162109
0.6437 Remote Similarity NPC470360
0.6437 Remote Similarity NPC471185
0.6429 Remote Similarity NPC471266
0.6429 Remote Similarity NPC95124
0.6429 Remote Similarity NPC148163
0.6429 Remote Similarity NPC130209
0.6429 Remote Similarity NPC218525
0.6429 Remote Similarity NPC148216
0.642 Remote Similarity NPC89374
0.642 Remote Similarity NPC328104
0.642 Remote Similarity NPC319090
0.6418 Remote Similarity NPC131623

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474900 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
0.6829 Remote Similarity NPD6930 Phase 2
0.6829 Remote Similarity NPD6931 Approved
0.6806 Remote Similarity NPD368 Approved
0.6707 Remote Similarity NPD6929 Approved
0.6706 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6627 Remote Similarity NPD7514 Phase 3
0.6588 Remote Similarity NPD6695 Phase 3
0.6477 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6463 Remote Similarity NPD6925 Approved
0.6463 Remote Similarity NPD5776 Phase 2
0.6456 Remote Similarity NPD4243 Approved
0.6437 Remote Similarity NPD6893 Approved
0.6429 Remote Similarity NPD4822 Approved
0.6429 Remote Similarity NPD4820 Approved
0.6429 Remote Similarity NPD7332 Phase 2
0.6429 Remote Similarity NPD4821 Approved
0.6429 Remote Similarity NPD4819 Approved
0.6429 Remote Similarity NPD342 Phase 1
0.6386 Remote Similarity NPD7145 Approved
0.6353 Remote Similarity NPD6902 Approved
0.6296 Remote Similarity NPD4784 Approved
0.6296 Remote Similarity NPD4785 Approved
0.6296 Remote Similarity NPD6926 Approved
0.6296 Remote Similarity NPD6924 Approved
0.6292 Remote Similarity NPD7524 Approved
0.6292 Remote Similarity NPD7750 Discontinued
0.6265 Remote Similarity NPD6932 Approved
0.622 Remote Similarity NPD4190 Phase 3
0.622 Remote Similarity NPD5275 Approved
0.619 Remote Similarity NPD4271 Approved
0.619 Remote Similarity NPD4268 Approved
0.6163 Remote Similarity NPD6898 Phase 1
0.6145 Remote Similarity NPD6933 Approved
0.6118 Remote Similarity NPD4195 Approved
0.6118 Remote Similarity NPD6683 Phase 2
0.6047 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6047 Remote Similarity NPD7525 Registered
0.6022 Remote Similarity NPD7087 Discontinued
0.6 Remote Similarity NPD4249 Approved
0.6 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5952 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5952 Remote Similarity NPD1346 Approved
0.5934 Remote Similarity NPD4250 Approved
0.5934 Remote Similarity NPD4251 Approved
0.5909 Remote Similarity NPD4223 Phase 3
0.5909 Remote Similarity NPD4221 Approved
0.5905 Remote Similarity NPD6053 Discontinued
0.5862 Remote Similarity NPD7509 Discontinued
0.5843 Remote Similarity NPD5362 Discontinued
0.5843 Remote Similarity NPD5331 Approved
0.5843 Remote Similarity NPD5332 Approved
0.5833 Remote Similarity NPD7339 Approved
0.5833 Remote Similarity NPD6942 Approved
0.5821 Remote Similarity NPD386 Approved
0.5821 Remote Similarity NPD388 Approved
0.5802 Remote Similarity NPD6922 Approved
0.5802 Remote Similarity NPD6923 Approved
0.5795 Remote Similarity NPD4790 Discontinued
0.5783 Remote Similarity NPD4732 Discontinued
0.5778 Remote Similarity NPD4197 Approved
0.5732 Remote Similarity NPD7144 Approved
0.5732 Remote Similarity NPD7143 Approved
0.5714 Remote Similarity NPD5329 Approved
0.5714 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5696 Remote Similarity NPD7341 Phase 2
0.5684 Remote Similarity NPD7637 Suspended
0.5682 Remote Similarity NPD4748 Discontinued
0.5682 Remote Similarity NPD5368 Approved
0.5667 Remote Similarity NPD7154 Phase 3
0.5663 Remote Similarity NPD7151 Approved
0.5663 Remote Similarity NPD7150 Approved
0.5663 Remote Similarity NPD7152 Approved
0.5652 Remote Similarity NPD5205 Approved
0.5652 Remote Similarity NPD5690 Phase 2
0.5652 Remote Similarity NPD4688 Approved
0.5652 Remote Similarity NPD4138 Approved
0.5652 Remote Similarity NPD4689 Approved
0.5652 Remote Similarity NPD4694 Approved
0.5652 Remote Similarity NPD4519 Discontinued
0.5652 Remote Similarity NPD4693 Phase 3
0.5652 Remote Similarity NPD4690 Approved
0.5652 Remote Similarity NPD5280 Approved
0.5652 Remote Similarity NPD4623 Approved
0.5647 Remote Similarity NPD8264 Approved
0.5638 Remote Similarity NPD4753 Phase 2
0.5638 Remote Similarity NPD1695 Approved
0.5632 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5625 Remote Similarity NPD7331 Phase 2
0.5618 Remote Similarity NPD4692 Approved
0.5618 Remote Similarity NPD4139 Approved
0.561 Remote Similarity NPD1082 Approved

Structure

External Identifiers

PubChem CID   11687470
ChEMBL   CHEMBL486799
ZINC  

Physicochemical Properties

Molecular Weight:  252.17
ALogP:  1.9584
MLogP:  2.78
XLogP:  1.888
# Rotatable Bonds:  6
Polar Surface Area:  38.69
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  18

Download Data

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