Natural Product: NPC474057

Natural Product ID:  NPC474057
Common Name:   1Alpha-Hydroxy-1(4H)-Isocadalen-4-One
IUPAC Name:   4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one
Synonyms:  
Molecular Formula:   C15H18O2
Standard InCHIKey:  CNZCFICJJNMIPR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H18O2/c1-9(2)12-8-15(4,17)13-6-5-10(3)7-11(13)14(12)16/h5-9,17H,1-4H3
Canonical SMILES:  Cc1ccc2c(c1)C(=O)C(=CC2(C)O)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
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota PMID[11473412]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Inhibition = 41.71 % 10.1039/C3MD00097D

  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 NPC474057 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
0.9126 High Similarity NPC247976
0.9083 High Similarity NPC186933
0.8981 High Similarity NPC66208
0.8909 High Similarity NPC274839
0.8909 High Similarity NPC93181
0.8868 High Similarity NPC100767
0.8807 High Similarity NPC292834
0.8704 High Similarity NPC318327
0.8696 High Similarity NPC472981
0.8667 High Similarity NPC304873
0.8667 High Similarity NPC25458
0.8649 High Similarity NPC196673
0.8621 High Similarity NPC167323
0.8621 High Similarity NPC269923
0.8598 High Similarity NPC172483
0.8571 High Similarity NPC474095
0.8571 High Similarity NPC476357
0.8476 Intermediate Similarity NPC217621
0.8475 Intermediate Similarity NPC85511
0.844 Intermediate Similarity NPC211439
0.8426 Intermediate Similarity NPC105899
0.8421 Intermediate Similarity NPC158157
0.8411 Intermediate Similarity NPC274443
0.8411 Intermediate Similarity NPC255676
0.8393 Intermediate Similarity NPC143768
0.839 Intermediate Similarity NPC282577
0.839 Intermediate Similarity NPC307174
0.8381 Intermediate Similarity NPC229242
0.8378 Intermediate Similarity NPC475002
0.8378 Intermediate Similarity NPC95126
0.8349 Intermediate Similarity NPC185763
0.8349 Intermediate Similarity NPC83409
0.8349 Intermediate Similarity NPC37914
0.8347 Intermediate Similarity NPC51448
0.8347 Intermediate Similarity NPC115797
0.8333 Intermediate Similarity NPC133461
0.8333 Intermediate Similarity NPC123506
0.8333 Intermediate Similarity NPC135730
0.8333 Intermediate Similarity NPC329282
0.8318 Intermediate Similarity NPC222390
0.8318 Intermediate Similarity NPC244427
0.8304 Intermediate Similarity NPC471188
0.8291 Intermediate Similarity NPC133302
0.8291 Intermediate Similarity NPC232958
0.8286 Intermediate Similarity NPC253423
0.8276 Intermediate Similarity NPC318173
0.8273 Intermediate Similarity NPC249811
0.8264 Intermediate Similarity NPC474106
0.8257 Intermediate Similarity NPC134120
0.8252 Intermediate Similarity NPC153885
0.8246 Intermediate Similarity NPC228936
0.8241 Intermediate Similarity NPC329556
0.823 Intermediate Similarity NPC13784
0.823 Intermediate Similarity NPC470253
0.8214 Intermediate Similarity NPC265513
0.8208 Intermediate Similarity NPC329387
0.8208 Intermediate Similarity NPC317280
0.819 Intermediate Similarity NPC222968
0.819 Intermediate Similarity NPC80605
0.819 Intermediate Similarity NPC323440
0.8173 Intermediate Similarity NPC238219
0.8167 Intermediate Similarity NPC275145
0.8165 Intermediate Similarity NPC472221
0.8165 Intermediate Similarity NPC472222
0.8158 Intermediate Similarity NPC471721
0.8151 Intermediate Similarity NPC18785
0.8142 Intermediate Similarity NPC212415
0.8142 Intermediate Similarity NPC186128
0.8136 Intermediate Similarity NPC206778
0.8136 Intermediate Similarity NPC285829
0.813 Intermediate Similarity NPC96024
0.8108 Intermediate Similarity NPC112903
0.8103 Intermediate Similarity NPC469843
0.8099 Intermediate Similarity NPC199273
0.8099 Intermediate Similarity NPC142956
0.8095 Intermediate Similarity NPC260233
0.8077 Intermediate Similarity NPC155232
0.807 Intermediate Similarity NPC93287
0.8067 Intermediate Similarity NPC144547
0.8058 Intermediate Similarity NPC173413
0.8056 Intermediate Similarity NPC282895
0.8053 Intermediate Similarity NPC133308
0.8049 Intermediate Similarity NPC72667
0.8019 Intermediate Similarity NPC61944
0.8017 Intermediate Similarity NPC273683
0.8016 Intermediate Similarity NPC58685
0.8 Intermediate Similarity NPC108129
0.8 Intermediate Similarity NPC249067
0.7984 Intermediate Similarity NPC48248
0.7983 Intermediate Similarity NPC289432
0.7983 Intermediate Similarity NPC988
0.7983 Intermediate Similarity NPC238861
0.7983 Intermediate Similarity NPC77000
0.7982 Intermediate Similarity NPC284477
0.7967 Intermediate Similarity NPC3224
0.7967 Intermediate Similarity NPC306765
0.7967 Intermediate Similarity NPC15837
0.7967 Intermediate Similarity NPC254492
0.7951 Intermediate Similarity NPC164014
0.7949 Intermediate Similarity NPC212891
0.7946 Intermediate Similarity NPC34715
0.7944 Intermediate Similarity NPC156021
0.7944 Intermediate Similarity NPC239185
0.7941 Intermediate Similarity NPC194326
0.7931 Intermediate Similarity NPC215419
0.7931 Intermediate Similarity NPC221275
0.7928 Intermediate Similarity NPC471186
0.792 Intermediate Similarity NPC34414
0.792 Intermediate Similarity NPC262819
0.792 Intermediate Similarity NPC146647
0.792 Intermediate Similarity NPC171460
0.7905 Intermediate Similarity NPC188844
0.7905 Intermediate Similarity NPC1682
0.7903 Intermediate Similarity NPC176130
0.7903 Intermediate Similarity NPC84672
0.7903 Intermediate Similarity NPC78364
0.7903 Intermediate Similarity NPC69424
0.7895 Intermediate Similarity NPC210089
0.789 Intermediate Similarity NPC225079
0.7881 Intermediate Similarity NPC160199
0.7876 Intermediate Similarity NPC85493
0.787 Intermediate Similarity NPC134882
0.787 Intermediate Similarity NPC75724
0.787 Intermediate Similarity NPC49994
0.7869 Intermediate Similarity NPC318067
0.7869 Intermediate Similarity NPC328107
0.7864 Intermediate Similarity NPC157778
0.7863 Intermediate Similarity NPC322197
0.7863 Intermediate Similarity NPC161304
0.7857 Intermediate Similarity NPC55949
0.7851 Intermediate Similarity NPC154696
0.7851 Intermediate Similarity NPC25168
0.7851 Intermediate Similarity NPC120545
0.7845 Intermediate Similarity NPC326664
0.7845 Intermediate Similarity NPC477411
0.7845 Intermediate Similarity NPC196075
0.7845 Intermediate Similarity NPC153053
0.7845 Intermediate Similarity NPC242136
0.7843 Intermediate Similarity NPC307
0.7843 Intermediate Similarity NPC160339
0.7843 Intermediate Similarity NPC474211
0.784 Intermediate Similarity NPC282923
0.7826 Intermediate Similarity NPC218855
0.7826 Intermediate Similarity NPC321852
0.7823 Intermediate Similarity NPC231774
0.7812 Intermediate Similarity NPC138472
0.7812 Intermediate Similarity NPC115458
0.781 Intermediate Similarity NPC284475
0.7807 Intermediate Similarity NPC95172
0.7805 Intermediate Similarity NPC310540
0.7805 Intermediate Similarity NPC234890
0.7805 Intermediate Similarity NPC68756
0.7805 Intermediate Similarity NPC173978
0.7805 Intermediate Similarity NPC74507
0.7805 Intermediate Similarity NPC152525
0.7798 Intermediate Similarity NPC228435
0.7797 Intermediate Similarity NPC108288
0.7797 Intermediate Similarity NPC477453
0.7788 Intermediate Similarity NPC203732
0.7787 Intermediate Similarity NPC300274
0.7787 Intermediate Similarity NPC91478
0.7787 Intermediate Similarity NPC65627
0.7778 Intermediate Similarity NPC25736
0.7778 Intermediate Similarity NPC265220
0.7778 Intermediate Similarity NPC303910
0.7778 Intermediate Similarity NPC306740
0.7778 Intermediate Similarity NPC276238
0.7778 Intermediate Similarity NPC217111
0.7769 Intermediate Similarity NPC190971
0.7769 Intermediate Similarity NPC32322
0.7769 Intermediate Similarity NPC165197
0.7769 Intermediate Similarity NPC259703
0.7767 Intermediate Similarity NPC43945
0.7759 Intermediate Similarity NPC231717
0.7752 Intermediate Similarity NPC23894
0.7752 Intermediate Similarity NPC474659
0.7752 Intermediate Similarity NPC202225
0.775 Intermediate Similarity NPC204784
0.775 Intermediate Similarity NPC472708
0.775 Intermediate Similarity NPC202015
0.775 Intermediate Similarity NPC476645
0.7748 Intermediate Similarity NPC19856
0.7745 Intermediate Similarity NPC474354
0.7739 Intermediate Similarity NPC260818
0.7739 Intermediate Similarity NPC291799
0.7736 Intermediate Similarity NPC323420
0.7731 Intermediate Similarity NPC45794
0.7727 Intermediate Similarity NPC109514
0.7727 Intermediate Similarity NPC469481
0.7727 Intermediate Similarity NPC476993
0.7724 Intermediate Similarity NPC228739
0.7724 Intermediate Similarity NPC375356
0.7724 Intermediate Similarity NPC51079
0.7724 Intermediate Similarity NPC135062
0.7719 Intermediate Similarity NPC192577
0.7717 Intermediate Similarity NPC198305
0.7717 Intermediate Similarity NPC27659
0.7714 Intermediate Similarity NPC70940
0.7714 Intermediate Similarity NPC62765
0.7714 Intermediate Similarity NPC86670

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474057 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
0.8571 High Similarity NPD5951 Approved
0.8545 High Similarity NPD4141 Clinical (unspecified phase)
0.8364 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.8291 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.8241 Intermediate Similarity NPD1929 Approved
0.8241 Intermediate Similarity NPD1930 Approved
0.8241 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.8142 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.8131 Intermediate Similarity NPD2066 Phase 3
0.8 Intermediate Similarity NPD1237 Approved
0.7983 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7944 Intermediate Similarity NPD3495 Discontinued
0.7934 Intermediate Similarity NPD4878 Approved
0.7905 Intermediate Similarity NPD7631 Approved
0.7818 Intermediate Similarity NPD1932 Approved
0.781 Intermediate Similarity NPD7609 Phase 3
0.7797 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7767 Intermediate Similarity NPD650 Approved
0.7757 Intermediate Similarity NPD1693 Approved
0.7719 Intermediate Similarity NPD2329 Discontinued
0.7714 Intermediate Similarity NPD1090 Approved
0.7714 Intermediate Similarity NPD1086 Approved
0.7714 Intermediate Similarity NPD9256 Approved
0.7714 Intermediate Similarity NPD1089 Approved
0.7714 Intermediate Similarity NPD9258 Approved
0.7667 Intermediate Similarity NPD7009 Phase 2
0.7664 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7638 Intermediate Similarity NPD7008 Discontinued
0.7638 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD800 Approved
0.76 Intermediate Similarity NPD1470 Approved
0.7593 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7583 Intermediate Similarity NPD7610 Discontinued
0.7581 Intermediate Similarity NPD182 Clinical (unspecified phase)
0.757 Intermediate Similarity NPD1088 Approved
0.7561 Intermediate Similarity NPD1201 Approved
0.7541 Intermediate Similarity NPD2932 Approved
0.7522 Intermediate Similarity NPD164 Approved
0.75 Intermediate Similarity NPD1317 Discontinued
0.7459 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD1087 Approved
0.7414 Intermediate Similarity NPD2182 Approved
0.7398 Intermediate Similarity NPD3019 Approved
0.7339 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD1202 Approved
0.7339 Intermediate Similarity NPD4879 Approved
0.7333 Intermediate Similarity NPD9257 Approved
0.7333 Intermediate Similarity NPD9259 Approved
0.7315 Intermediate Similarity NPD1239 Approved
0.7297 Intermediate Similarity NPD1566 Phase 3
0.7297 Intermediate Similarity NPD1565 Approved
0.7297 Intermediate Similarity NPD1564 Approved
0.7266 Intermediate Similarity NPD4980 Approved
0.7239 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD9508 Approved
0.719 Intermediate Similarity NPD2629 Approved
0.719 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD2346 Discontinued
0.7132 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD3317 Approved
0.712 Intermediate Similarity NPD2345 Approved
0.7109 Intermediate Similarity NPD1283 Approved
0.7101 Intermediate Similarity NPD7003 Approved
0.7099 Intermediate Similarity NPD6966 Discovery
0.7091 Intermediate Similarity NPD1508 Approved
0.708 Intermediate Similarity NPD9495 Approved
0.7069 Intermediate Similarity NPD5909 Discontinued
0.7059 Intermediate Similarity NPD5406 Approved
0.7059 Intermediate Similarity NPD5404 Approved
0.7059 Intermediate Similarity NPD5408 Approved
0.7059 Intermediate Similarity NPD5405 Approved
0.7054 Intermediate Similarity NPD1164 Approved
0.7048 Intermediate Similarity NPD9491 Approved
0.7045 Intermediate Similarity NPD3764 Approved
0.704 Intermediate Similarity NPD1651 Approved
0.7031 Intermediate Similarity NPD5159 Phase 2
0.7031 Intermediate Similarity NPD5158 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD5157 Phase 1
0.7027 Intermediate Similarity NPD845 Approved
0.7027 Intermediate Similarity NPD1563 Approved
0.7025 Intermediate Similarity NPD7635 Approved
0.7025 Intermediate Similarity NPD5277 Phase 2
0.7019 Intermediate Similarity NPD942 Approved
0.7018 Intermediate Similarity NPD1238 Approved
0.7008 Intermediate Similarity NPD6287 Discontinued
0.7 Intermediate Similarity NPD2798 Approved
0.6985 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6985 Remote Similarity NPD2799 Discontinued
0.6984 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6983 Remote Similarity NPD6647 Phase 2
0.6977 Remote Similarity NPD1876 Approved
0.6964 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6964 Remote Similarity NPD6049 Phase 2
0.6953 Remote Similarity NPD3972 Approved
0.6929 Remote Similarity NPD3023 Approved
0.6929 Remote Similarity NPD3026 Approved
0.6905 Remote Similarity NPD3024 Approved
0.6905 Remote Similarity NPD1245 Approved
0.6905 Remote Similarity NPD3025 Approved
0.6903 Remote Similarity NPD1989 Approved
0.6903 Remote Similarity NPD1843 Approved
0.6891 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6891 Remote Similarity NPD9264 Approved
0.6891 Remote Similarity NPD9263 Approved
0.6891 Remote Similarity NPD9267 Approved
0.6879 Remote Similarity NPD3300 Phase 2
0.6879 Remote Similarity NPD7236 Approved
0.6875 Remote Similarity NPD1281 Approved
0.687 Remote Similarity NPD3020 Approved
0.6866 Remote Similarity NPD7961 Discontinued
0.6857 Remote Similarity NPD226 Approved
0.685 Remote Similarity NPD5306 Approved
0.685 Remote Similarity NPD5305 Approved
0.6842 Remote Similarity NPD288 Approved
0.6833 Remote Similarity NPD74 Approved
0.6833 Remote Similarity NPD9266 Approved
0.6829 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5346 Phase 2
0.6818 Remote Similarity NPD5347 Phase 2
0.6814 Remote Similarity NPD9260 Approved
0.681 Remote Similarity NPD1616 Discontinued
0.68 Remote Similarity NPD9493 Approved
0.6791 Remote Similarity NPD2313 Discontinued
0.6783 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6774 Remote Similarity NPD1246 Approved
0.6772 Remote Similarity NPD4102 Approved
0.6772 Remote Similarity NPD4105 Approved
0.6763 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6759 Remote Similarity NPD7239 Suspended
0.6754 Remote Similarity NPD844 Approved
0.675 Remote Similarity NPD2342 Discontinued
0.6748 Remote Similarity NPD6858 Approved
0.6748 Remote Similarity NPD7094 Approved
0.6744 Remote Similarity NPD4806 Approved
0.6744 Remote Similarity NPD4807 Approved
0.6742 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6085 Phase 2
0.6729 Remote Similarity NPD3971 Phase 1
0.6719 Remote Similarity NPD4626 Approved
0.6715 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6713 Remote Similarity NPD7390 Discontinued
0.6712 Remote Similarity NPD3226 Approved
0.6712 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6694 Remote Similarity NPD1241 Discontinued
0.6693 Remote Similarity NPD9545 Approved
0.6691 Remote Similarity NPD4453 Approved
0.6691 Remote Similarity NPD4445 Approved
0.6691 Remote Similarity NPD4452 Approved
0.6667 Remote Similarity NPD9490 Approved
0.6667 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4135 Approved
0.6667 Remote Similarity NPD4136 Approved
0.6667 Remote Similarity NPD4106 Approved
0.6641 Remote Similarity NPD1755 Approved
0.6639 Remote Similarity NPD4750 Phase 3
0.6636 Remote Similarity NPD4793 Discontinued
0.662 Remote Similarity NPD8166 Discontinued
0.6619 Remote Similarity NPD4308 Phase 3
0.6618 Remote Similarity NPD7715 Approved
0.6618 Remote Similarity NPD7714 Approved
0.6618 Remote Similarity NPD6663 Approved
0.661 Remote Similarity NPD2648 Phase 3
0.661 Remote Similarity NPD4818 Approved
0.661 Remote Similarity NPD4817 Approved
0.661 Remote Similarity NPD2193 Phase 2
0.6609 Remote Similarity NPD2860 Approved
0.6609 Remote Similarity NPD1809 Phase 2
0.6609 Remote Similarity NPD2859 Approved
0.6606 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6604 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6599 Remote Similarity NPD7458 Discontinued
0.6599 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6594 Remote Similarity NPD1607 Approved
0.6594 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6591 Remote Similarity NPD1888 Phase 1
0.6589 Remote Similarity NPD1104 Approved
0.6587 Remote Similarity NPD4198 Discontinued
0.6577 Remote Similarity NPD1101 Approved
0.6571 Remote Similarity NPD2935 Discontinued
0.6571 Remote Similarity NPD225 Approved
0.6571 Remote Similarity NPD227 Approved
0.6569 Remote Similarity NPD943 Approved
0.6567 Remote Similarity NPD5736 Approved
0.6555 Remote Similarity NPD9261 Approved
0.6541 Remote Similarity NPD2797 Approved
0.6525 Remote Similarity NPD2344 Approved
0.6525 Remote Similarity NPD1471 Phase 3
0.6525 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6522 Remote Similarity NPD2934 Approved
0.6522 Remote Similarity NPD2933 Approved
0.6508 Remote Similarity NPD9281 Approved
0.6507 Remote Similarity NPD6273 Approved
0.6503 Remote Similarity NPD3750 Approved
0.6503 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6503 Remote Similarity NPD4628 Phase 3
0.65 Remote Similarity NPD179 Clinical (unspecified phase)
0.65 Remote Similarity NPD651 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   185975
ChEMBL   CHEMBL459411
ZINC  

Physicochemical Properties

Molecular Weight:  230.13
ALogP:  0.9176
MLogP:  2.89
XLogP:  3.449
# Rotatable Bonds:  6
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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