Natural Product: NPC233923

Natural Product ID:  NPC233923
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C16H22O3
Standard InCHIKey:  AVNDXVWMCIPVIY-SQWLQELKSA-N
Standard InCHI:  InChI=1S/C16H22O3/c1-9-6-7-10-12-11(9)13(18-5)19-8-16(12,4)14(17)15(10,2)3/h6-7,13-14,17H,8H2,1-5H3/t13-,14+,16+/m0/s1
Canonical SMILES:  CO[C@H]1OC[C@@]2(c3c1c(C)ccc3C([C@H]2O)(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
NPO32658 geniculosporium sp. Species Xylariaceae Eukaryota isolated from the marine red alga Polysiphonia PMID[15787444]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1230 Organism Bacillus megaterium Bacillus megaterium IZ = 6 mm PubChem BioAssay data set
NPT1231 Organism Microbotryum violaceum Microbotryum violaceum IZ = 8 mm 24950030
NPT1231 Organism Microbotryum violaceum Microbotryum violaceum IZ = 0 mm 24949913
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 0 mm 17988094
NPT1230 Organism Bacillus megaterium Bacillus megaterium IZ = 0 mm 21397370
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 6 mm 15620242

  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 NPC233923 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 NPC146673
0.9735 High Similarity NPC238582
0.9375 High Similarity NPC169616
0.8281 Intermediate Similarity NPC82712
0.8174 Intermediate Similarity NPC471133
0.8142 Intermediate Similarity NPC245927
0.7982 Intermediate Similarity NPC289117
0.7886 Intermediate Similarity NPC472862
0.7863 Intermediate Similarity NPC152384
0.7863 Intermediate Similarity NPC37714
0.7833 Intermediate Similarity NPC264784
0.7833 Intermediate Similarity NPC30563
0.7829 Intermediate Similarity NPC9180
0.7829 Intermediate Similarity NPC100402
0.781 Intermediate Similarity NPC164743
0.7794 Intermediate Similarity NPC156393
0.7778 Intermediate Similarity NPC315794
0.775 Intermediate Similarity NPC276061
0.775 Intermediate Similarity NPC474148
0.7687 Intermediate Similarity NPC159811
0.7687 Intermediate Similarity NPC321086
0.7669 Intermediate Similarity NPC72915
0.7667 Intermediate Similarity NPC149455
0.7667 Intermediate Similarity NPC472982
0.7667 Intermediate Similarity NPC64642
0.7627 Intermediate Similarity NPC148060
0.7607 Intermediate Similarity NPC60373
0.7607 Intermediate Similarity NPC154905
0.7542 Intermediate Similarity NPC19856
0.7538 Intermediate Similarity NPC470815
0.7538 Intermediate Similarity NPC307139
0.75 Intermediate Similarity NPC43000
0.75 Intermediate Similarity NPC325294
0.75 Intermediate Similarity NPC120217
0.75 Intermediate Similarity NPC321822
0.75 Intermediate Similarity NPC95990
0.75 Intermediate Similarity NPC100414
0.75 Intermediate Similarity NPC472706
0.75 Intermediate Similarity NPC5486
0.7479 Intermediate Similarity NPC56168
0.7465 Intermediate Similarity NPC96447
0.7444 Intermediate Similarity NPC230331
0.7444 Intermediate Similarity NPC108164
0.7438 Intermediate Similarity NPC472980
0.7438 Intermediate Similarity NPC27252
0.7438 Intermediate Similarity NPC472979
0.7426 Intermediate Similarity NPC51262
0.7424 Intermediate Similarity NPC470816
0.7424 Intermediate Similarity NPC124030
0.7417 Intermediate Similarity NPC243601
0.7415 Intermediate Similarity NPC469456
0.7407 Intermediate Similarity NPC325003
0.7402 Intermediate Similarity NPC216605
0.7402 Intermediate Similarity NPC266389
0.7402 Intermediate Similarity NPC122245
0.7402 Intermediate Similarity NPC45794
0.7394 Intermediate Similarity NPC471139
0.7388 Intermediate Similarity NPC223912
0.7379 Intermediate Similarity NPC476173
0.7373 Intermediate Similarity NPC469481
0.7368 Intermediate Similarity NPC253681
0.7364 Intermediate Similarity NPC68339
0.7357 Intermediate Similarity NPC476643
0.735 Intermediate Similarity NPC262826
0.7348 Intermediate Similarity NPC145287
0.7344 Intermediate Similarity NPC254233
0.7333 Intermediate Similarity NPC47286
0.7328 Intermediate Similarity NPC273336
0.7328 Intermediate Similarity NPC21959
0.7328 Intermediate Similarity NPC182333
0.7313 Intermediate Similarity NPC186889
0.7308 Intermediate Similarity NPC328504
0.7302 Intermediate Similarity NPC221275
0.7287 Intermediate Similarity NPC20230
0.7287 Intermediate Similarity NPC38181
0.7287 Intermediate Similarity NPC470814
0.7281 Intermediate Similarity NPC79917
0.7273 Intermediate Similarity NPC77691
0.7267 Intermediate Similarity NPC476784
0.725 Intermediate Similarity NPC469527
0.7248 Intermediate Similarity NPC469699
0.7239 Intermediate Similarity NPC267733
0.7239 Intermediate Similarity NPC276047
0.723 Intermediate Similarity NPC77310
0.7226 Intermediate Similarity NPC233692
0.7226 Intermediate Similarity NPC239358
0.7217 Intermediate Similarity NPC314690
0.7214 Intermediate Similarity NPC262324
0.7214 Intermediate Similarity NPC243893
0.7209 Intermediate Similarity NPC164649
0.7209 Intermediate Similarity NPC48342
0.7206 Intermediate Similarity NPC25729
0.7206 Intermediate Similarity NPC474494
0.7206 Intermediate Similarity NPC27712
0.72 Intermediate Similarity NPC471188
0.72 Intermediate Similarity NPC111108
0.7197 Intermediate Similarity NPC476142
0.7197 Intermediate Similarity NPC472703
0.7194 Intermediate Similarity NPC471864
0.7192 Intermediate Similarity NPC474564
0.719 Intermediate Similarity NPC208676
0.719 Intermediate Similarity NPC130489
0.7188 Intermediate Similarity NPC148055
0.7188 Intermediate Similarity NPC470820
0.7188 Intermediate Similarity NPC175771
0.7185 Intermediate Similarity NPC175333
0.7183 Intermediate Similarity NPC221134
0.7176 Intermediate Similarity NPC229600
0.7174 Intermediate Similarity NPC472248
0.7174 Intermediate Similarity NPC476644
0.7164 Intermediate Similarity NPC252962
0.7153 Intermediate Similarity NPC196193
0.7143 Intermediate Similarity NPC472704
0.7143 Intermediate Similarity NPC475561
0.7143 Intermediate Similarity NPC137580
0.7143 Intermediate Similarity NPC475447
0.7143 Intermediate Similarity NPC475218
0.7143 Intermediate Similarity NPC476092
0.7143 Intermediate Similarity NPC70236
0.7143 Intermediate Similarity NPC475417
0.7133 Intermediate Similarity NPC137501
0.7133 Intermediate Similarity NPC154262
0.7133 Intermediate Similarity NPC257847
0.7133 Intermediate Similarity NPC7518
0.7133 Intermediate Similarity NPC159387
0.7132 Intermediate Similarity NPC476266
0.7122 Intermediate Similarity NPC470143
0.7122 Intermediate Similarity NPC28836
0.7122 Intermediate Similarity NPC311492
0.7122 Intermediate Similarity NPC48929
0.7122 Intermediate Similarity NPC322503
0.7121 Intermediate Similarity NPC77569
0.7121 Intermediate Similarity NPC142198
0.7114 Intermediate Similarity NPC472658
0.7114 Intermediate Similarity NPC472657
0.7113 Intermediate Similarity NPC79921
0.7109 Intermediate Similarity NPC9274
0.7105 Intermediate Similarity NPC1793
0.7103 Intermediate Similarity NPC184464
0.7103 Intermediate Similarity NPC251062
0.7101 Intermediate Similarity NPC233860
0.7101 Intermediate Similarity NPC78575
0.7101 Intermediate Similarity NPC475824
0.7099 Intermediate Similarity NPC133302
0.7099 Intermediate Similarity NPC234337
0.7099 Intermediate Similarity NPC133389
0.7099 Intermediate Similarity NPC469702
0.7099 Intermediate Similarity NPC183339
0.7099 Intermediate Similarity NPC282255
0.7099 Intermediate Similarity NPC282409
0.7095 Intermediate Similarity NPC298072
0.7095 Intermediate Similarity NPC478123
0.7095 Intermediate Similarity NPC62792
0.7092 Intermediate Similarity NPC475628
0.709 Intermediate Similarity NPC57607
0.7087 Intermediate Similarity NPC123175
0.7087 Intermediate Similarity NPC176730
0.708 Intermediate Similarity NPC288290
0.7071 Intermediate Similarity NPC200154
0.7071 Intermediate Similarity NPC473399
0.7071 Intermediate Similarity NPC473216
0.7069 Intermediate Similarity NPC128645
0.7068 Intermediate Similarity NPC152946
0.7063 Intermediate Similarity NPC471862
0.7059 Intermediate Similarity NPC469386
0.7059 Intermediate Similarity NPC472707
0.7059 Intermediate Similarity NPC471077
0.7055 Intermediate Similarity NPC478263
0.7054 Intermediate Similarity NPC474387
0.7054 Intermediate Similarity NPC474358
0.7054 Intermediate Similarity NPC257540
0.7054 Intermediate Similarity NPC105141
0.7054 Intermediate Similarity NPC247858
0.7054 Intermediate Similarity NPC137496
0.7054 Intermediate Similarity NPC242764
0.7054 Intermediate Similarity NPC154511
0.705 Intermediate Similarity NPC59239
0.7047 Intermediate Similarity NPC183380
0.7045 Intermediate Similarity NPC476448
0.7045 Intermediate Similarity NPC469412
0.7045 Intermediate Similarity NPC198734
0.7045 Intermediate Similarity NPC469548
0.7045 Intermediate Similarity NPC476445
0.7042 Intermediate Similarity NPC473301
0.7037 Intermediate Similarity NPC293801
0.7037 Intermediate Similarity NPC4286
0.7037 Intermediate Similarity NPC76119
0.7034 Intermediate Similarity NPC204644
0.7034 Intermediate Similarity NPC186296
0.7031 Intermediate Similarity NPC157338
0.7031 Intermediate Similarity NPC313193
0.7029 Intermediate Similarity NPC99795
0.7027 Intermediate Similarity NPC222102
0.7027 Intermediate Similarity NPC303429
0.7027 Intermediate Similarity NPC469448
0.7023 Intermediate Similarity NPC14950
0.7021 Intermediate Similarity NPC79957
0.7021 Intermediate Similarity NPC202729
0.7015 Intermediate Similarity NPC138798
0.7015 Intermediate Similarity NPC228739

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC233923 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
0.8512 High Similarity NPD5126 Approved
0.8512 High Similarity NPD5125 Phase 3
0.8197 Intermediate Similarity NPD7741 Discontinued
0.725 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD3091 Approved
0.7206 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD4140 Approved
0.7122 Intermediate Similarity NPD5735 Approved
0.7121 Intermediate Similarity NPD3092 Approved
0.7099 Intermediate Similarity NPD3095 Discontinued
0.7054 Intermediate Similarity NPD4230 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD3094 Phase 2
0.7015 Intermediate Similarity NPD5327 Phase 3
0.6993 Remote Similarity NPD5763 Approved
0.6993 Remote Similarity NPD5762 Approved
0.6985 Remote Similarity NPD4624 Approved
0.6977 Remote Similarity NPD4198 Discontinued
0.695 Remote Similarity NPD6353 Approved
0.6935 Remote Similarity NPD6685 Approved
0.6934 Remote Similarity NPD5736 Approved
0.6901 Remote Similarity NPD41 Approved
0.6901 Remote Similarity NPD5886 Approved
0.6897 Remote Similarity NPD6674 Discontinued
0.6866 Remote Similarity NPD1091 Approved
0.6861 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6861 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6010 Discontinued
0.6813 Remote Similarity NPD7799 Discontinued
0.6809 Remote Similarity NPD3620 Phase 2
0.6809 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6002 Phase 3
0.6759 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6004 Phase 3
0.6759 Remote Similarity NPD6005 Phase 3
0.6757 Remote Similarity NPD7236 Approved
0.6739 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6085 Phase 2
0.6738 Remote Similarity NPD6663 Approved
0.6716 Remote Similarity NPD4059 Approved
0.6716 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6715 Remote Similarity NPD6696 Suspended
0.6714 Remote Similarity NPD7008 Discontinued
0.6714 Remote Similarity NPD4625 Phase 3
0.6694 Remote Similarity NPD5765 Approved
0.6692 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6667 Remote Similarity NPD969 Suspended
0.6645 Remote Similarity NPD7239 Suspended
0.6641 Remote Similarity NPD2629 Approved
0.664 Remote Similarity NPD3047 Approved
0.664 Remote Similarity NPD3048 Approved
0.664 Remote Similarity NPD3046 Approved
0.6621 Remote Similarity NPD4108 Discontinued
0.6618 Remote Similarity NPD3705 Approved
0.6589 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6571 Remote Similarity NPD2861 Phase 2
0.6567 Remote Similarity NPD2106 Clinical (unspecified phase)
0.656 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6544 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6912 Phase 3
0.6533 Remote Similarity NPD5058 Phase 3
0.6531 Remote Similarity NPD2174 Clinical (unspecified phase)
0.6519 Remote Similarity NPD5691 Approved
0.6519 Remote Similarity NPD1357 Approved
0.6515 Remote Similarity NPD5951 Approved
0.6513 Remote Similarity NPD6273 Approved
0.6496 Remote Similarity NPD5618 Discontinued
0.6489 Remote Similarity NPD6858 Approved
0.6489 Remote Similarity NPD7094 Approved
0.6475 Remote Similarity NPD8651 Approved
0.6471 Remote Similarity NPD4626 Approved
0.6466 Remote Similarity NPD7157 Approved
0.6447 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6444 Remote Similarity NPD2227 Clinical (unspecified phase)
0.6438 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6434 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6423 Remote Similarity NPD3898 Approved
0.6423 Remote Similarity NPD3897 Approved
0.6423 Remote Similarity NPD3896 Approved
0.6423 Remote Similarity NPD3895 Approved
0.6419 Remote Similarity NPD7266 Discontinued
0.6403 Remote Similarity NPD4749 Approved
0.64 Remote Similarity NPD2558 Approved
0.64 Remote Similarity NPD2553 Approved
0.64 Remote Similarity NPD2550 Approved
0.64 Remote Similarity NPD2555 Approved
0.64 Remote Similarity NPD2549 Approved
0.64 Remote Similarity NPD2552 Approved
0.6389 Remote Similarity NPD4404 Approved
0.6387 Remote Similarity NPD6591 Clinical (unspecified phase)
0.637 Remote Similarity NPD4097 Suspended
0.6364 Remote Similarity NPD1138 Approved
0.6364 Remote Similarity NPD7635 Approved
0.6364 Remote Similarity NPD5699 Approved
0.6357 Remote Similarity NPD6406 Approved
0.635 Remote Similarity NPD3019 Approved
0.635 Remote Similarity NPD2932 Approved
0.635 Remote Similarity NPD1778 Approved
0.635 Remote Similarity NPD7725 Approved
0.6349 Remote Similarity NPD4189 Approved
0.6349 Remote Similarity NPD4188 Approved
0.6346 Remote Similarity NPD7028 Phase 2
0.6345 Remote Similarity NPD7966 Clinical (unspecified phase)
0.634 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6328 Remote Similarity NPD5048 Discontinued
0.6312 Remote Similarity NPD6362 Approved
0.6308 Remote Similarity NPD2684 Approved
0.6301 Remote Similarity NPD3657 Discovery
0.6294 Remote Similarity NPD4908 Phase 1
0.6291 Remote Similarity NPD4628 Phase 3
0.6291 Remote Similarity NPD3892 Phase 2
0.6291 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6288 Remote Similarity NPD1137 Approved
0.6288 Remote Similarity NPD1139 Approved
0.6286 Remote Similarity NPD6025 Phase 1
0.6284 Remote Similarity NPD7742 Approved
0.6284 Remote Similarity NPD7743 Approved
0.6284 Remote Similarity NPD7305 Phase 1
0.6279 Remote Similarity NPD3526 Approved
0.6279 Remote Similarity NPD3524 Approved
0.6277 Remote Similarity NPD1710 Approved
0.6266 Remote Similarity NPD37 Approved
0.626 Remote Similarity NPD4750 Phase 3
0.626 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6259 Remote Similarity NPD1610 Phase 2
0.6259 Remote Similarity NPD2157 Approved
0.6259 Remote Similarity NPD6653 Approved
0.625 Remote Similarity NPD7057 Phase 3
0.625 Remote Similarity NPD7058 Phase 2
0.625 Remote Similarity NPD689 Discontinued
0.625 Remote Similarity NPD4965 Approved
0.625 Remote Similarity NPD4966 Approved
0.625 Remote Similarity NPD4967 Phase 2
0.6241 Remote Similarity NPD1283 Approved
0.6232 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6231 Remote Similarity NPD2342 Discontinued
0.6231 Remote Similarity NPD290 Approved
0.6226 Remote Similarity NPD8455 Phase 2
0.6216 Remote Similarity NPD4536 Approved
0.6216 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6216 Remote Similarity NPD4538 Approved
0.6212 Remote Similarity NPD4141 Clinical (unspecified phase)
0.621 Remote Similarity NPD1809 Phase 2
0.6207 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6204 Remote Similarity NPD4479 Discontinued
0.6196 Remote Similarity NPD7199 Phase 2
0.6195 Remote Similarity NPD9294 Approved
0.6194 Remote Similarity NPD1398 Phase 1
0.619 Remote Similarity NPD3020 Approved
0.619 Remote Similarity NPD5124 Phase 1
0.619 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6183 Remote Similarity NPD2182 Approved
0.6183 Remote Similarity NPD4718 Approved
0.6183 Remote Similarity NPD4720 Approved
0.6183 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6183 Remote Similarity NPD4717 Approved
0.6179 Remote Similarity NPD845 Approved
0.6176 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6176 Remote Similarity NPD7340 Approved
0.6174 Remote Similarity NPD5588 Approved
0.6174 Remote Similarity NPD7033 Discontinued
0.6172 Remote Similarity NPD6647 Phase 2
0.617 Remote Similarity NPD3685 Discontinued
0.617 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6168 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6167 Remote Similarity NPD531 Approved
0.6165 Remote Similarity NPD4571 Approved
0.6165 Remote Similarity NPD4572 Approved
0.6165 Remote Similarity NPD4573 Approved
0.6164 Remote Similarity NPD8032 Phase 2
0.6159 Remote Similarity NPD1651 Approved
0.6159 Remote Similarity NPD7503 Approved
0.6154 Remote Similarity NPD2551 Approved
0.6154 Remote Similarity NPD2559 Approved
0.6138 Remote Similarity NPD3027 Phase 3
0.6133 Remote Similarity NPD7137 Phase 2
0.6133 Remote Similarity NPD6100 Approved
0.6133 Remote Similarity NPD6099 Approved
0.6129 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6129 Remote Similarity NPD6049 Phase 2
0.6129 Remote Similarity NPD1693 Approved
0.6122 Remote Similarity NPD2238 Phase 2
0.6122 Remote Similarity NPD4060 Phase 1
0.6119 Remote Similarity NPD7843 Approved
0.6108 Remote Similarity NPD7228 Approved
0.6103 Remote Similarity NPD6387 Discontinued
0.6103 Remote Similarity NPD709 Approved
0.6103 Remote Similarity NPD6671 Approved
0.6099 Remote Similarity NPD7249 Approved
0.6099 Remote Similarity NPD7250 Approved
0.6098 Remote Similarity NPD1088 Approved
0.6096 Remote Similarity NPD7294 Phase 1
0.6094 Remote Similarity NPD4719 Phase 2
0.609 Remote Similarity NPD2201 Approved
0.6087 Remote Similarity NPD7009 Phase 2
0.608 Remote Similarity NPD1989 Approved
0.608 Remote Similarity NPD2859 Approved
0.608 Remote Similarity NPD2860 Approved

Structure

External Identifiers

PubChem CID   11459695
ChEMBL   CHEMBL480076
ZINC  

Physicochemical Properties

Molecular Weight:  262.16
ALogP:  1.2556
MLogP:  2.89
XLogP:  2.987
# Rotatable Bonds:  7
Polar Surface Area:  38.69
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  19

Download Data

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Structure MOL file  
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Biological Activities  
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