Natural Product: NPC310608

Natural Product ID:  NPC310608
Common Name:   14-Hydroxy-5-Desoxy-2S,3S,9R-Illudosin
IUPAC Name:   (2E)-2-[(2S)-2-[(1S,2R,4S)-2-hydroxy-4-(hydroxymethyl)-4-methylcyclopentyl]-2-methylcyclobutylidene]propanal
Synonyms:  
Molecular Formula:   C15H24O3
Standard InCHIKey:  AXEKOLRQAGIULX-JPPPHGFVSA-N
Standard InCHI:  InChI=1S/C15H24O3/c1-10(8-16)11-4-5-15(11,3)12-6-14(2,9-17)7-13(12)18/h8,12-13,17-18H,4-7,9H2,1-3H3/b11-10+/t12-,13-,14+,15-/m1/s1
Canonical SMILES:  O=C/C(=C/1CC[C@@]1(C)[C@@H]1C[C@](C[C@H]1O)(C)CO)/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
NPO33262 coprinus cinereus Species Agaricaceae Eukaryota PMID[20598551]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus ED50 = 5.3 ug/ml 21741249

  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 NPC310608 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
0.7927 Intermediate Similarity NPC232156
0.76 Intermediate Similarity NPC254845
0.75 Intermediate Similarity NPC181195
0.75 Intermediate Similarity NPC261125
0.7407 Intermediate Similarity NPC471656
0.7397 Intermediate Similarity NPC238352
0.7397 Intermediate Similarity NPC477009
0.7342 Intermediate Similarity NPC215481
0.7273 Intermediate Similarity NPC41886
0.725 Intermediate Similarity NPC276769
0.7241 Intermediate Similarity NPC97032
0.7222 Intermediate Similarity NPC63111
0.7176 Intermediate Similarity NPC36350
0.7176 Intermediate Similarity NPC280203
0.7162 Intermediate Similarity NPC61503
0.7143 Intermediate Similarity NPC474748
0.7143 Intermediate Similarity NPC471781
0.7126 Intermediate Similarity NPC477710
0.7125 Intermediate Similarity NPC124289
0.7125 Intermediate Similarity NPC473437
0.7125 Intermediate Similarity NPC142759
0.7125 Intermediate Similarity NPC141346
0.7125 Intermediate Similarity NPC126969
0.7125 Intermediate Similarity NPC310643
0.7125 Intermediate Similarity NPC25908
0.7125 Intermediate Similarity NPC115719
0.7089 Intermediate Similarity NPC78527
0.7073 Intermediate Similarity NPC470429
0.7059 Intermediate Similarity NPC16887
0.7059 Intermediate Similarity NPC53011
0.7059 Intermediate Similarity NPC37005
0.7059 Intermediate Similarity NPC154893
0.7045 Intermediate Similarity NPC257485
0.7045 Intermediate Similarity NPC232747
0.7037 Intermediate Similarity NPC470428
0.7037 Intermediate Similarity NPC211279
0.7027 Intermediate Similarity NPC309300
0.7024 Intermediate Similarity NPC472465
0.7024 Intermediate Similarity NPC133844
0.6974 Remote Similarity NPC477791
0.6966 Remote Similarity NPC477711
0.6962 Remote Similarity NPC234527
0.6962 Remote Similarity NPC14352
0.6951 Remote Similarity NPC321180
0.6951 Remote Similarity NPC476949
0.6941 Remote Similarity NPC472473
0.6933 Remote Similarity NPC474329
0.6933 Remote Similarity NPC261782
0.6933 Remote Similarity NPC474304
0.6933 Remote Similarity NPC469326
0.6933 Remote Similarity NPC205618
0.6933 Remote Similarity NPC300442
0.6923 Remote Similarity NPC111015
0.6923 Remote Similarity NPC298919
0.6914 Remote Similarity NPC469646
0.6914 Remote Similarity NPC472472
0.6905 Remote Similarity NPC6434
0.6883 Remote Similarity NPC167527
0.6875 Remote Similarity NPC102313
0.6875 Remote Similarity NPC199316
0.6867 Remote Similarity NPC229204
0.686 Remote Similarity NPC227064
0.686 Remote Similarity NPC161423
0.686 Remote Similarity NPC329043
0.686 Remote Similarity NPC321187
0.686 Remote Similarity NPC58841
0.6848 Remote Similarity NPC37408
0.6848 Remote Similarity NPC469873
0.6835 Remote Similarity NPC469343
0.6829 Remote Similarity NPC186109
0.6824 Remote Similarity NPC470614
0.6824 Remote Similarity NPC1272
0.6818 Remote Similarity NPC89747
0.6818 Remote Similarity NPC475772
0.6813 Remote Similarity NPC250575
0.6795 Remote Similarity NPC144647
0.6795 Remote Similarity NPC22301
0.679 Remote Similarity NPC113639
0.679 Remote Similarity NPC114236
0.679 Remote Similarity NPC77501
0.679 Remote Similarity NPC251435
0.679 Remote Similarity NPC313185
0.6786 Remote Similarity NPC26117
0.6778 Remote Similarity NPC472466
0.6753 Remote Similarity NPC136813
0.675 Remote Similarity NPC474140
0.6744 Remote Similarity NPC110778
0.6744 Remote Similarity NPC477667
0.6744 Remote Similarity NPC477818
0.6744 Remote Similarity NPC62214
0.6712 Remote Similarity NPC52431
0.6712 Remote Similarity NPC310228
0.6711 Remote Similarity NPC471200
0.6709 Remote Similarity NPC470041
0.6709 Remote Similarity NPC280256
0.6709 Remote Similarity NPC133873
0.6707 Remote Similarity NPC250621
0.6706 Remote Similarity NPC136150
0.6706 Remote Similarity NPC472471
0.6705 Remote Similarity NPC477668
0.6705 Remote Similarity NPC212843
0.6703 Remote Similarity NPC472468
0.6703 Remote Similarity NPC473675
0.6702 Remote Similarity NPC477949
0.6667 Remote Similarity NPC471659
0.6667 Remote Similarity NPC124172
0.6667 Remote Similarity NPC214043
0.6667 Remote Similarity NPC473759
0.6667 Remote Similarity NPC329435
0.6667 Remote Similarity NPC41217
0.6667 Remote Similarity NPC473246
0.6667 Remote Similarity NPC211291
0.6667 Remote Similarity NPC133368
0.6667 Remote Similarity NPC33913
0.6667 Remote Similarity NPC477943
0.6667 Remote Similarity NPC186688
0.6667 Remote Similarity NPC469608
0.6667 Remote Similarity NPC170775
0.6667 Remote Similarity NPC82902
0.6667 Remote Similarity NPC470299
0.6667 Remote Similarity NPC85774
0.6667 Remote Similarity NPC472265
0.6667 Remote Similarity NPC258231
0.6667 Remote Similarity NPC474155
0.6667 Remote Similarity NPC224532
0.6667 Remote Similarity NPC309178
0.6633 Remote Similarity NPC470838
0.663 Remote Similarity NPC125180
0.663 Remote Similarity NPC109414
0.6629 Remote Similarity NPC471657
0.6629 Remote Similarity NPC312215
0.6629 Remote Similarity NPC45957
0.6627 Remote Similarity NPC476007
0.6627 Remote Similarity NPC197659
0.6627 Remote Similarity NPC86917
0.6625 Remote Similarity NPC469737
0.6625 Remote Similarity NPC471662
0.6622 Remote Similarity NPC252809
0.6593 Remote Similarity NPC2946
0.6593 Remote Similarity NPC191684
0.6593 Remote Similarity NPC183283
0.6591 Remote Similarity NPC179006
0.6591 Remote Similarity NPC197823
0.6591 Remote Similarity NPC474218
0.6591 Remote Similarity NPC474853
0.6591 Remote Similarity NPC245434
0.6588 Remote Similarity NPC471514
0.6588 Remote Similarity NPC45495
0.6585 Remote Similarity NPC60818
0.6585 Remote Similarity NPC23231
0.6585 Remote Similarity NPC328104
0.6585 Remote Similarity NPC319090
0.6585 Remote Similarity NPC474885
0.6585 Remote Similarity NPC263698
0.6585 Remote Similarity NPC474011
0.6582 Remote Similarity NPC90115
0.6582 Remote Similarity NPC217570
0.6579 Remote Similarity NPC219940
0.6562 Remote Similarity NPC154072
0.6559 Remote Similarity NPC90453
0.6559 Remote Similarity NPC472467
0.6556 Remote Similarity NPC476704
0.6556 Remote Similarity NPC183546
0.6556 Remote Similarity NPC48866
0.6556 Remote Similarity NPC247406
0.6556 Remote Similarity NPC291665
0.6556 Remote Similarity NPC294480
0.6552 Remote Similarity NPC141941
0.6552 Remote Similarity NPC321385
0.6552 Remote Similarity NPC193870
0.6548 Remote Similarity NPC477817
0.6548 Remote Similarity NPC472502
0.6548 Remote Similarity NPC477819
0.6548 Remote Similarity NPC475
0.6548 Remote Similarity NPC477514
0.6548 Remote Similarity NPC475980
0.6548 Remote Similarity NPC477522
0.6548 Remote Similarity NPC87604
0.6543 Remote Similarity NPC300940
0.6533 Remote Similarity NPC260573
0.6533 Remote Similarity NPC15152
0.6522 Remote Similarity NPC233116
0.6517 Remote Similarity NPC31564
0.6517 Remote Similarity NPC201273
0.6517 Remote Similarity NPC474732
0.6517 Remote Similarity NPC469994
0.6517 Remote Similarity NPC145879
0.6517 Remote Similarity NPC94755
0.6517 Remote Similarity NPC474778
0.6517 Remote Similarity NPC474733
0.6517 Remote Similarity NPC24277
0.6517 Remote Similarity NPC327115
0.6517 Remote Similarity NPC72133
0.6512 Remote Similarity NPC471661
0.6506 Remote Similarity NPC1973
0.6506 Remote Similarity NPC471658
0.6506 Remote Similarity NPC167873
0.6506 Remote Similarity NPC470525
0.6506 Remote Similarity NPC263582
0.6506 Remote Similarity NPC96319

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC310608 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
0.686 Remote Similarity NPD3665 Phase 1
0.686 Remote Similarity NPD3666 Approved
0.686 Remote Similarity NPD3133 Approved
0.663 Remote Similarity NPD4202 Approved
0.6517 Remote Similarity NPD5279 Phase 3
0.6506 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6484 Remote Similarity NPD4753 Phase 2
0.6471 Remote Similarity NPD4195 Approved
0.6471 Remote Similarity NPD6929 Approved
0.6463 Remote Similarity NPD6924 Approved
0.6463 Remote Similarity NPD6926 Approved
0.6437 Remote Similarity NPD4223 Phase 3
0.6437 Remote Similarity NPD4221 Approved
0.6395 Remote Similarity NPD6931 Approved
0.6395 Remote Similarity NPD4748 Discontinued
0.6395 Remote Similarity NPD6930 Phase 2
0.6354 Remote Similarity NPD4755 Approved
0.6333 Remote Similarity NPD3618 Phase 1
0.631 Remote Similarity NPD6933 Approved
0.6304 Remote Similarity NPD5328 Approved
0.6292 Remote Similarity NPD4786 Approved
0.6292 Remote Similarity NPD4197 Approved
0.6292 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6264 Remote Similarity NPD4751 Clinical (unspecified phase)
0.625 Remote Similarity NPD4697 Phase 3
0.625 Remote Similarity NPD3667 Approved
0.6235 Remote Similarity NPD6932 Approved
0.6235 Remote Similarity NPD6925 Approved
0.6235 Remote Similarity NPD5776 Phase 2
0.6224 Remote Similarity NPD5285 Approved
0.6224 Remote Similarity NPD5286 Approved
0.6224 Remote Similarity NPD4700 Approved
0.6224 Remote Similarity NPD4696 Approved
0.6222 Remote Similarity NPD5329 Approved
0.6222 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6207 Remote Similarity NPD4821 Approved
0.6207 Remote Similarity NPD7525 Registered
0.6207 Remote Similarity NPD4819 Approved
0.6207 Remote Similarity NPD4822 Approved
0.6207 Remote Similarity NPD5368 Approved
0.6207 Remote Similarity NPD4820 Approved
0.619 Remote Similarity NPD6942 Approved
0.619 Remote Similarity NPD7339 Approved
0.618 Remote Similarity NPD5362 Discontinued
0.618 Remote Similarity NPD6695 Phase 3
0.618 Remote Similarity NPD5331 Approved
0.618 Remote Similarity NPD5332 Approved
0.618 Remote Similarity NPD4788 Approved
0.6173 Remote Similarity NPD6923 Approved
0.6173 Remote Similarity NPD6922 Approved
0.617 Remote Similarity NPD6079 Approved
0.6163 Remote Similarity NPD7145 Approved
0.6163 Remote Similarity NPD4271 Approved
0.6163 Remote Similarity NPD4268 Approved
0.6163 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6163 Remote Similarity NPD3617 Approved
0.6162 Remote Similarity NPD5223 Approved
0.6154 Remote Similarity NPD5280 Approved
0.6154 Remote Similarity NPD4688 Approved
0.6154 Remote Similarity NPD4693 Phase 3
0.6154 Remote Similarity NPD4689 Approved
0.6154 Remote Similarity NPD4690 Approved
0.6154 Remote Similarity NPD5205 Approved
0.6154 Remote Similarity NPD5690 Phase 2
0.6154 Remote Similarity NPD4138 Approved
0.6154 Remote Similarity NPD4694 Approved
0.6146 Remote Similarity NPD4629 Approved
0.6146 Remote Similarity NPD5210 Approved
0.6136 Remote Similarity NPD4692 Approved
0.6136 Remote Similarity NPD4790 Discontinued
0.6136 Remote Similarity NPD4139 Approved
0.6122 Remote Similarity NPD7638 Approved
0.61 Remote Similarity NPD5225 Approved
0.61 Remote Similarity NPD5226 Approved
0.61 Remote Similarity NPD4633 Approved
0.61 Remote Similarity NPD5211 Phase 2
0.61 Remote Similarity NPD5224 Approved
0.6098 Remote Similarity NPD7143 Approved
0.6098 Remote Similarity NPD7144 Approved
0.6092 Remote Similarity NPD6683 Phase 2
0.6076 Remote Similarity NPD7341 Phase 2
0.6067 Remote Similarity NPD6435 Approved
0.6064 Remote Similarity NPD5785 Approved
0.6061 Remote Similarity NPD7640 Approved
0.6061 Remote Similarity NPD7639 Approved
0.6044 Remote Similarity NPD5363 Approved
0.6044 Remote Similarity NPD6893 Approved
0.6042 Remote Similarity NPD5282 Discontinued
0.604 Remote Similarity NPD4754 Approved
0.604 Remote Similarity NPD5174 Approved
0.604 Remote Similarity NPD5175 Approved
0.6024 Remote Similarity NPD7152 Approved
0.6024 Remote Similarity NPD7150 Approved
0.6024 Remote Similarity NPD7151 Approved
0.6024 Remote Similarity NPD4243 Approved
0.6023 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6023 Remote Similarity NPD7514 Phase 3
0.6023 Remote Similarity NPD7509 Discontinued
0.6022 Remote Similarity NPD4518 Approved
0.602 Remote Similarity NPD6084 Phase 2
0.602 Remote Similarity NPD6083 Phase 2
0.6019 Remote Similarity NPD6412 Phase 2
0.6 Remote Similarity NPD5284 Approved
0.6 Remote Similarity NPD4634 Approved
0.6 Remote Similarity NPD5281 Approved
0.598 Remote Similarity NPD5141 Approved
0.5979 Remote Similarity NPD5695 Phase 3
0.5978 Remote Similarity NPD4249 Approved
0.5978 Remote Similarity NPD5330 Approved
0.5978 Remote Similarity NPD6684 Approved
0.5978 Remote Similarity NPD7334 Approved
0.5978 Remote Similarity NPD7146 Approved
0.5978 Remote Similarity NPD7521 Approved
0.5978 Remote Similarity NPD6409 Approved
0.5955 Remote Similarity NPD5369 Approved
0.5955 Remote Similarity NPD6902 Approved
0.5941 Remote Similarity NPD7632 Discontinued
0.5934 Remote Similarity NPD5766 Clinical (unspecified phase)
0.5922 Remote Similarity NPD5739 Approved
0.5922 Remote Similarity NPD6675 Approved
0.5922 Remote Similarity NPD4768 Approved
0.5922 Remote Similarity NPD7128 Approved
0.5922 Remote Similarity NPD6402 Approved
0.5922 Remote Similarity NPD4767 Approved
0.5918 Remote Similarity NPD5221 Approved
0.5918 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5918 Remote Similarity NPD5222 Approved
0.5914 Remote Similarity NPD4251 Approved
0.5914 Remote Similarity NPD7750 Discontinued
0.5914 Remote Similarity NPD7524 Approved
0.5914 Remote Similarity NPD4250 Approved
0.5897 Remote Similarity NPD368 Approved
0.5895 Remote Similarity NPD4096 Approved
0.5889 Remote Similarity NPD4269 Approved
0.5889 Remote Similarity NPD4270 Approved
0.5882 Remote Similarity NPD4785 Approved
0.5882 Remote Similarity NPD4784 Approved
0.5865 Remote Similarity NPD5701 Approved
0.5865 Remote Similarity NPD5697 Approved
0.5859 Remote Similarity NPD5173 Approved
0.5851 Remote Similarity NPD6903 Approved
0.5851 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5849 Remote Similarity NPD6371 Approved
0.5844 Remote Similarity NPD3198 Approved
0.5843 Remote Similarity NPD7332 Phase 2
0.5833 Remote Similarity NPD7637 Suspended
0.5833 Remote Similarity NPD4632 Approved
0.5816 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5814 Remote Similarity NPD5275 Approved
0.5814 Remote Similarity NPD4190 Phase 3
0.581 Remote Similarity NPD6011 Approved
0.581 Remote Similarity NPD5128 Approved
0.581 Remote Similarity NPD7320 Approved
0.581 Remote Similarity NPD6899 Approved
0.581 Remote Similarity NPD6881 Approved
0.581 Remote Similarity NPD4730 Approved
0.581 Remote Similarity NPD4729 Approved
0.5806 Remote Similarity NPD3574 Clinical (unspecified phase)
0.58 Remote Similarity NPD5696 Approved
0.5783 Remote Similarity NPD3698 Phase 2
0.5778 Remote Similarity NPD857 Phase 3
0.5778 Remote Similarity NPD6898 Phase 1
0.5773 Remote Similarity NPD6399 Phase 3
0.5773 Remote Similarity NPD5133 Approved
0.5755 Remote Similarity NPD6014 Approved
0.5755 Remote Similarity NPD6012 Approved
0.5755 Remote Similarity NPD6373 Approved
0.5755 Remote Similarity NPD6013 Approved
0.5755 Remote Similarity NPD6372 Approved
0.5729 Remote Similarity NPD7838 Discovery
0.5714 Remote Similarity NPD4245 Approved
0.5714 Remote Similarity NPD4244 Approved
0.5701 Remote Similarity NPD6883 Approved
0.5701 Remote Similarity NPD5250 Approved
0.5701 Remote Similarity NPD5247 Approved
0.5701 Remote Similarity NPD5251 Approved
0.5701 Remote Similarity NPD5248 Approved
0.5701 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5701 Remote Similarity NPD5249 Phase 3
0.5701 Remote Similarity NPD5135 Approved
0.5701 Remote Similarity NPD7290 Approved
0.5701 Remote Similarity NPD7102 Approved
0.5701 Remote Similarity NPD5169 Approved
0.5699 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5699 Remote Similarity NPD1696 Phase 3
0.5679 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5676 Remote Similarity NPD6009 Approved
0.567 Remote Similarity NPD7087 Discontinued
0.567 Remote Similarity NPD7515 Phase 2
0.5667 Remote Similarity NPD4252 Approved
0.5667 Remote Similarity NPD4695 Discontinued
0.5648 Remote Similarity NPD6869 Approved
0.5648 Remote Similarity NPD6617 Approved
0.5648 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5648 Remote Similarity NPD6847 Approved
0.5648 Remote Similarity NPD8130 Phase 1
0.5648 Remote Similarity NPD5215 Approved
0.5648 Remote Similarity NPD5217 Approved
0.5648 Remote Similarity NPD6649 Approved
0.5648 Remote Similarity NPD5216 Approved

Structure

External Identifiers

PubChem CID   49798952
ChEMBL   CHEMBL1172013
ZINC  

Physicochemical Properties

Molecular Weight:  252.17
ALogP:  0.3135
MLogP:  2.78
XLogP:  1.134
# Rotatable Bonds:  8
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# 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