Natural Product: NPC102463

Natural Product ID:  NPC102463
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H22O2
Standard InCHIKey:  FMUFYIFXWSUYSC-XXLQHYSLSA-N
Standard InCHI:  InChI=1S/C15H22O2/c1-9-5-6-11-12-10(9)7-17-8-15(12,4)13(16)14(11,2)3/h7,9,13,16H,5-6,8H2,1-4H3/t9-,13-,15-/m1/s1
Canonical SMILES:  C[C@@H]1CCC2=C3C1=COC[C@@]3(C)[C@@H](C2(C)C)O
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 = 0 mm PubChem BioAssay data set
NPT1231 Organism Microbotryum violaceum Microbotryum violaceum IZ = 0 mm 24949913
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 0 mm 17988094
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 6 mm 15620242
NPT1231 Organism Microbotryum violaceum Microbotryum violaceum IZ = 5 mm 18183025
NPT1230 Organism Bacillus megaterium Bacillus megaterium IZ = 0 mm DrugMatrix in vitro pharmacology data

  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 NPC102463 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
0.9315 High Similarity NPC31258
0.7778 Intermediate Similarity NPC5985
0.7692 Intermediate Similarity NPC96319
0.7561 Intermediate Similarity NPC201852
0.7532 Intermediate Similarity NPC474140
0.75 Intermediate Similarity NPC477522
0.75 Intermediate Similarity NPC76931
0.75 Intermediate Similarity NPC318136
0.75 Intermediate Similarity NPC18603
0.75 Intermediate Similarity NPC92801
0.75 Intermediate Similarity NPC307965
0.747 Intermediate Similarity NPC470384
0.7468 Intermediate Similarity NPC321016
0.7468 Intermediate Similarity NPC107059
0.7468 Intermediate Similarity NPC321381
0.7467 Intermediate Similarity NPC208999
0.7436 Intermediate Similarity NPC471797
0.7436 Intermediate Similarity NPC27395
0.7436 Intermediate Similarity NPC329090
0.7429 Intermediate Similarity NPC475830
0.7375 Intermediate Similarity NPC155986
0.7375 Intermediate Similarity NPC198968
0.7375 Intermediate Similarity NPC318495
0.7368 Intermediate Similarity NPC471560
0.7368 Intermediate Similarity NPC90115
0.7368 Intermediate Similarity NPC217570
0.7342 Intermediate Similarity NPC22105
0.7342 Intermediate Similarity NPC471468
0.7342 Intermediate Similarity NPC136188
0.7342 Intermediate Similarity NPC285893
0.7342 Intermediate Similarity NPC230301
0.7342 Intermediate Similarity NPC304309
0.7342 Intermediate Similarity NPC319090
0.7342 Intermediate Similarity NPC28657
0.7342 Intermediate Similarity NPC288035
0.7342 Intermediate Similarity NPC134847
0.7342 Intermediate Similarity NPC328104
0.7342 Intermediate Similarity NPC162742
0.7333 Intermediate Similarity NPC477791
0.7317 Intermediate Similarity NPC26117
0.7308 Intermediate Similarity NPC130665
0.7308 Intermediate Similarity NPC471799
0.7294 Intermediate Similarity NPC474189
0.7294 Intermediate Similarity NPC474349
0.7284 Intermediate Similarity NPC473943
0.7284 Intermediate Similarity NPC87604
0.7284 Intermediate Similarity NPC477514
0.7284 Intermediate Similarity NPC186191
0.7284 Intermediate Similarity NPC205455
0.7284 Intermediate Similarity NPC275910
0.7284 Intermediate Similarity NPC474216
0.7273 Intermediate Similarity NPC34834
0.726 Intermediate Similarity NPC133368
0.726 Intermediate Similarity NPC211291
0.725 Intermediate Similarity NPC113733
0.725 Intermediate Similarity NPC300324
0.725 Intermediate Similarity NPC73875
0.725 Intermediate Similarity NPC240604
0.725 Intermediate Similarity NPC315261
0.7241 Intermediate Similarity NPC2158
0.7237 Intermediate Similarity NPC216460
0.7229 Intermediate Similarity NPC82986
0.7229 Intermediate Similarity NPC7505
0.7229 Intermediate Similarity NPC470383
0.7229 Intermediate Similarity NPC474752
0.7229 Intermediate Similarity NPC474683
0.7229 Intermediate Similarity NPC474759
0.7229 Intermediate Similarity NPC474731
0.72 Intermediate Similarity NPC272125
0.72 Intermediate Similarity NPC202017
0.7195 Intermediate Similarity NPC47982
0.7195 Intermediate Similarity NPC109546
0.7195 Intermediate Similarity NPC472463
0.7195 Intermediate Similarity NPC84694
0.7195 Intermediate Similarity NPC143182
0.7195 Intermediate Similarity NPC28862
0.7195 Intermediate Similarity NPC1319
0.7195 Intermediate Similarity NPC155924
0.7195 Intermediate Similarity NPC81306
0.7195 Intermediate Similarity NPC328714
0.7179 Intermediate Similarity NPC242001
0.7179 Intermediate Similarity NPC164022
0.7176 Intermediate Similarity NPC238485
0.7176 Intermediate Similarity NPC474493
0.7162 Intermediate Similarity NPC290367
0.7162 Intermediate Similarity NPC323424
0.7162 Intermediate Similarity NPC96793
0.7162 Intermediate Similarity NPC110241
0.716 Intermediate Similarity NPC214570
0.716 Intermediate Similarity NPC34019
0.7143 Intermediate Similarity NPC101462
0.7143 Intermediate Similarity NPC20853
0.7143 Intermediate Similarity NPC202389
0.7143 Intermediate Similarity NPC248886
0.7143 Intermediate Similarity NPC470614
0.7143 Intermediate Similarity NPC167272
0.7143 Intermediate Similarity NPC269877
0.7143 Intermediate Similarity NPC1272
0.7143 Intermediate Similarity NPC474248
0.7126 Intermediate Similarity NPC271967
0.7125 Intermediate Similarity NPC257347
0.7125 Intermediate Similarity NPC118508
0.7125 Intermediate Similarity NPC141071
0.7125 Intermediate Similarity NPC322353
0.7125 Intermediate Similarity NPC121744
0.7125 Intermediate Similarity NPC60818
0.7125 Intermediate Similarity NPC471723
0.7125 Intermediate Similarity NPC23231
0.7108 Intermediate Similarity NPC241290
0.7108 Intermediate Similarity NPC324772
0.7108 Intermediate Similarity NPC209944
0.7108 Intermediate Similarity NPC234193
0.7108 Intermediate Similarity NPC164840
0.7105 Intermediate Similarity NPC472253
0.7105 Intermediate Similarity NPC472255
0.7105 Intermediate Similarity NPC114651
0.7093 Intermediate Similarity NPC266511
0.7089 Intermediate Similarity NPC220939
0.7089 Intermediate Similarity NPC68443
0.7089 Intermediate Similarity NPC265485
0.7067 Intermediate Similarity NPC208198
0.7067 Intermediate Similarity NPC2728
0.7067 Intermediate Similarity NPC60837
0.7067 Intermediate Similarity NPC172613
0.7067 Intermediate Similarity NPC11555
0.7067 Intermediate Similarity NPC238352
0.7067 Intermediate Similarity NPC282619
0.7067 Intermediate Similarity NPC477009
0.7059 Intermediate Similarity NPC237795
0.7059 Intermediate Similarity NPC475789
0.7059 Intermediate Similarity NPC82538
0.7051 Intermediate Similarity NPC49422
0.7051 Intermediate Similarity NPC9161
0.7051 Intermediate Similarity NPC145498
0.7045 Intermediate Similarity NPC470542
0.7037 Intermediate Similarity NPC134330
0.7037 Intermediate Similarity NPC265588
0.7037 Intermediate Similarity NPC244488
0.7037 Intermediate Similarity NPC470362
0.7037 Intermediate Similarity NPC189883
0.7037 Intermediate Similarity NPC129165
0.7037 Intermediate Similarity NPC202642
0.7037 Intermediate Similarity NPC247325
0.7037 Intermediate Similarity NPC106432
0.7037 Intermediate Similarity NPC46160
0.7024 Intermediate Similarity NPC23852
0.7024 Intermediate Similarity NPC264245
0.7024 Intermediate Similarity NPC209620
0.7024 Intermediate Similarity NPC6707
0.7024 Intermediate Similarity NPC474531
0.7024 Intermediate Similarity NPC6434
0.7024 Intermediate Similarity NPC47761
0.7024 Intermediate Similarity NPC320525
0.7013 Intermediate Similarity NPC96484
0.7013 Intermediate Similarity NPC160209
0.7013 Intermediate Similarity NPC276616
0.7013 Intermediate Similarity NPC32055
0.7013 Intermediate Similarity NPC167527
0.7011 Intermediate Similarity NPC152808
0.7011 Intermediate Similarity NPC293287
0.7 Intermediate Similarity NPC469534
0.7 Intermediate Similarity NPC469533
0.7 Intermediate Similarity NPC91858
0.7 Intermediate Similarity NPC477138
0.7 Intermediate Similarity NPC243342
0.7 Intermediate Similarity NPC469593
0.6988 Remote Similarity NPC53744
0.6988 Remote Similarity NPC30986
0.6988 Remote Similarity NPC209430
0.6977 Remote Similarity NPC205845
0.6977 Remote Similarity NPC185568
0.6977 Remote Similarity NPC209802
0.6977 Remote Similarity NPC124172
0.6977 Remote Similarity NPC231310
0.6974 Remote Similarity NPC149680
0.6962 Remote Similarity NPC167706
0.6962 Remote Similarity NPC242992
0.6962 Remote Similarity NPC469343
0.6951 Remote Similarity NPC91594
0.6951 Remote Similarity NPC471798
0.6951 Remote Similarity NPC283619
0.6951 Remote Similarity NPC477924
0.6941 Remote Similarity NPC49964
0.6941 Remote Similarity NPC470049
0.6941 Remote Similarity NPC151519
0.6941 Remote Similarity NPC189972
0.6941 Remote Similarity NPC50964
0.6941 Remote Similarity NPC30166
0.6933 Remote Similarity NPC101128
0.6933 Remote Similarity NPC144650
0.6932 Remote Similarity NPC149224
0.6923 Remote Similarity NPC472942
0.6923 Remote Similarity NPC473893
0.6914 Remote Similarity NPC66566
0.6914 Remote Similarity NPC133580
0.6914 Remote Similarity NPC171148
0.6914 Remote Similarity NPC291503
0.6914 Remote Similarity NPC69383
0.6914 Remote Similarity NPC313185
0.6914 Remote Similarity NPC477923

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC102463 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
0.7692 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD6924 Approved
0.7436 Intermediate Similarity NPD6926 Approved
0.7342 Intermediate Similarity NPD6942 Approved
0.7342 Intermediate Similarity NPD7339 Approved
0.725 Intermediate Similarity NPD6933 Approved
0.7195 Intermediate Similarity NPD6929 Approved
0.7143 Intermediate Similarity NPD6923 Approved
0.7143 Intermediate Similarity NPD6922 Approved
0.7108 Intermediate Similarity NPD6931 Approved
0.7108 Intermediate Similarity NPD6930 Phase 2
0.7108 Intermediate Similarity NPD7509 Discontinued
0.7059 Intermediate Similarity NPD6695 Phase 3
0.7051 Intermediate Similarity NPD7144 Approved
0.7051 Intermediate Similarity NPD7143 Approved
0.6988 Remote Similarity NPD7645 Phase 2
0.6977 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6962 Remote Similarity NPD7152 Approved
0.6962 Remote Similarity NPD7150 Approved
0.6962 Remote Similarity NPD7151 Approved
0.6951 Remote Similarity NPD6925 Approved
0.6951 Remote Similarity NPD6932 Approved
0.6951 Remote Similarity NPD5776 Phase 2
0.6941 Remote Similarity NPD3667 Approved
0.6914 Remote Similarity NPD8264 Approved
0.6905 Remote Similarity NPD7332 Phase 2
0.6905 Remote Similarity NPD4748 Discontinued
0.6867 Remote Similarity NPD7145 Approved
0.6867 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6898 Phase 1
0.679 Remote Similarity NPD4784 Approved
0.679 Remote Similarity NPD4785 Approved
0.6786 Remote Similarity NPD6683 Phase 2
0.6782 Remote Similarity NPD3666 Approved
0.6782 Remote Similarity NPD4786 Approved
0.6782 Remote Similarity NPD3133 Approved
0.6782 Remote Similarity NPD3665 Phase 1
0.675 Remote Similarity NPD4243 Approved
0.6742 Remote Similarity NPD7750 Discontinued
0.6742 Remote Similarity NPD7524 Approved
0.6742 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6706 Remote Similarity NPD7514 Phase 3
0.6706 Remote Similarity NPD7525 Registered
0.6705 Remote Similarity NPD6893 Approved
0.6629 Remote Similarity NPD5279 Phase 3
0.6628 Remote Similarity NPD6902 Approved
0.6528 Remote Similarity NPD342 Phase 1
0.6506 Remote Similarity NPD4190 Phase 3
0.6506 Remote Similarity NPD5275 Approved
0.6477 Remote Similarity NPD7154 Phase 3
0.6452 Remote Similarity NPD7087 Discontinued
0.6447 Remote Similarity NPD368 Approved
0.6444 Remote Similarity NPD3618 Phase 1
0.6429 Remote Similarity NPD1346 Approved
0.6413 Remote Similarity NPD4753 Phase 2
0.6395 Remote Similarity NPD4195 Approved
0.6277 Remote Similarity NPD6411 Approved
0.6264 Remote Similarity NPD5280 Approved
0.6264 Remote Similarity NPD4694 Approved
0.6237 Remote Similarity NPD5328 Approved
0.6222 Remote Similarity NPD3668 Phase 3
0.6211 Remote Similarity NPD4202 Approved
0.6211 Remote Similarity NPD6399 Phase 3
0.618 Remote Similarity NPD4223 Phase 3
0.618 Remote Similarity NPD4221 Approved
0.617 Remote Similarity NPD7136 Phase 2
0.6154 Remote Similarity NPD1696 Phase 3
0.6122 Remote Similarity NPD6084 Phase 2
0.6122 Remote Similarity NPD4755 Approved
0.6122 Remote Similarity NPD6083 Phase 2
0.6111 Remote Similarity NPD4788 Approved
0.6105 Remote Similarity NPD6079 Approved
0.6105 Remote Similarity NPD7637 Suspended
0.61 Remote Similarity NPD4159 Approved
0.6098 Remote Similarity NPD15 Approved
0.6098 Remote Similarity NPD791 Approved
0.6092 Remote Similarity NPD3617 Approved
0.6087 Remote Similarity NPD7521 Approved
0.6087 Remote Similarity NPD7334 Approved
0.6087 Remote Similarity NPD6409 Approved
0.6087 Remote Similarity NPD5330 Approved
0.6087 Remote Similarity NPD7146 Approved
0.6087 Remote Similarity NPD6684 Approved
0.6082 Remote Similarity NPD5210 Approved
0.6082 Remote Similarity NPD5695 Phase 3
0.6082 Remote Similarity NPD4629 Approved
0.6071 Remote Similarity NPD4732 Discontinued
0.6064 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6064 Remote Similarity NPD6101 Approved
0.6044 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6044 Remote Similarity NPD4197 Approved
0.6 Remote Similarity NPD4700 Approved
0.6 Remote Similarity NPD4219 Approved
0.6 Remote Similarity NPD4696 Approved
0.6 Remote Similarity NPD5286 Approved
0.6 Remote Similarity NPD5285 Approved
0.5979 Remote Similarity NPD5282 Discontinued
0.5978 Remote Similarity NPD5329 Approved
0.5957 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5957 Remote Similarity NPD6903 Approved
0.5957 Remote Similarity NPD4518 Approved
0.5955 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5955 Remote Similarity NPD4695 Discontinued
0.5938 Remote Similarity NPD5281 Approved
0.5938 Remote Similarity NPD5284 Approved
0.5934 Remote Similarity NPD5362 Discontinued
0.5914 Remote Similarity NPD4693 Phase 3
0.5914 Remote Similarity NPD4688 Approved
0.5914 Remote Similarity NPD4689 Approved
0.5914 Remote Similarity NPD4138 Approved
0.5914 Remote Similarity NPD5690 Phase 2
0.5914 Remote Similarity NPD5205 Approved
0.5914 Remote Similarity NPD4690 Approved
0.59 Remote Similarity NPD7638 Approved
0.59 Remote Similarity NPD5696 Approved
0.5895 Remote Similarity NPD6051 Approved
0.5889 Remote Similarity NPD4692 Approved
0.5889 Remote Similarity NPD4139 Approved
0.5882 Remote Similarity NPD5211 Phase 2
0.5882 Remote Similarity NPD5225 Approved
0.5882 Remote Similarity NPD5226 Approved
0.5882 Remote Similarity NPD5224 Approved
0.5882 Remote Similarity NPD4633 Approved
0.5876 Remote Similarity NPD5779 Approved
0.5876 Remote Similarity NPD5778 Approved
0.5865 Remote Similarity NPD7128 Approved
0.5865 Remote Similarity NPD6402 Approved
0.5865 Remote Similarity NPD6675 Approved
0.5865 Remote Similarity NPD5739 Approved
0.5859 Remote Similarity NPD5221 Approved
0.5859 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5859 Remote Similarity NPD4697 Phase 3
0.5859 Remote Similarity NPD5222 Approved
0.5842 Remote Similarity NPD7639 Approved
0.5842 Remote Similarity NPD7640 Approved
0.5841 Remote Similarity NPD7503 Approved
0.5833 Remote Similarity NPD4001 Clinical (unspecified phase)
0.5833 Remote Similarity NPD4096 Approved
0.5833 Remote Similarity NPD6053 Discontinued
0.5825 Remote Similarity NPD5174 Approved
0.5825 Remote Similarity NPD5175 Approved
0.581 Remote Similarity NPD6412 Phase 2
0.581 Remote Similarity NPD5701 Approved
0.581 Remote Similarity NPD5697 Approved
0.5806 Remote Similarity NPD7520 Clinical (unspecified phase)
0.58 Remote Similarity NPD5173 Approved
0.5789 Remote Similarity NPD4723 Approved
0.5789 Remote Similarity NPD4722 Approved
0.5784 Remote Similarity NPD5223 Approved
0.5778 Remote Similarity NPD4822 Approved
0.5778 Remote Similarity NPD4821 Approved
0.5778 Remote Similarity NPD4820 Approved
0.5778 Remote Similarity NPD4819 Approved
0.5778 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5773 Remote Similarity NPD7515 Phase 2
0.5769 Remote Similarity NPD5141 Approved
0.5755 Remote Similarity NPD7320 Approved
0.5755 Remote Similarity NPD6899 Approved
0.5755 Remote Similarity NPD6881 Approved
0.5745 Remote Similarity NPD4249 Approved
0.5745 Remote Similarity NPD4519 Discontinued
0.5745 Remote Similarity NPD4623 Approved
0.5743 Remote Similarity NPD4225 Approved
0.5743 Remote Similarity NPD5290 Discontinued
0.573 Remote Similarity NPD4268 Approved
0.573 Remote Similarity NPD4271 Approved
0.5729 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4768 Approved
0.5714 Remote Similarity NPD1082 Approved
0.5714 Remote Similarity NPD4767 Approved
0.5714 Remote Similarity NPD5133 Approved
0.5714 Remote Similarity NPD6640 Phase 3
0.5714 Remote Similarity NPD5369 Approved
0.5701 Remote Similarity NPD6372 Approved
0.5701 Remote Similarity NPD6013 Approved
0.5701 Remote Similarity NPD6014 Approved
0.5701 Remote Similarity NPD6012 Approved
0.5701 Remote Similarity NPD6373 Approved
0.5696 Remote Similarity NPD1145 Discontinued
0.5684 Remote Similarity NPD4250 Approved
0.5684 Remote Similarity NPD4251 Approved
0.5673 Remote Similarity NPD4754 Approved
0.567 Remote Similarity NPD5692 Phase 3
0.567 Remote Similarity NPD5207 Approved
0.5657 Remote Similarity NPD7748 Approved
0.5652 Remote Similarity NPD6435 Approved
0.5648 Remote Similarity NPD6883 Approved
0.5648 Remote Similarity NPD7290 Approved
0.5648 Remote Similarity NPD7102 Approved
0.5625 Remote Similarity NPD6672 Approved
0.5625 Remote Similarity NPD5737 Approved
0.5612 Remote Similarity NPD6050 Approved
0.5612 Remote Similarity NPD5694 Approved
0.5607 Remote Similarity NPD5128 Approved
0.5607 Remote Similarity NPD4730 Approved
0.5607 Remote Similarity NPD6011 Approved
0.5607 Remote Similarity NPD4729 Approved
0.5604 Remote Similarity NPD5368 Approved
0.56 Remote Similarity NPD1698 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11345345
ChEMBL   CHEMBL482040
ZINC  

Physicochemical Properties

Molecular Weight:  234.16
ALogP:  0.8124
MLogP:  2.89
XLogP:  1.489
# Rotatable Bonds:  5
Polar Surface Area:  29.46
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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