Natural Product: NPC242722

Natural Product ID:  NPC242722
Common Name:   Isotsaokoin
IUPAC Name:   (3aS,7R,7aR)-7-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carbaldehyde
Synonyms:   Isotsaokoin
Molecular Formula:   C10H14O2
Standard InCHIKey:  CBXWAUXGOHHAIT-OPRDCNLKSA-N
Standard InCHI:  InChI=1S/C10H14O2/c11-6-7-4-5-10(12)9-3-1-2-8(7)9/h4,6,8-10,12H,1-3,5H2/t8-,9-,10-/m1/s1
Canonical SMILES:  O=CC1=CC[C@H]([C@H]2[C@@H]1CCC2)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
NPO1505 Amomum tsao-ko Species Zingiberaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes IZ = 2 mm 15165158
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes IZ = 1.5 mm 15165158

  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 NPC242722 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
0.8125 Intermediate Similarity NPC136150
0.8125 Intermediate Similarity NPC119229
0.8101 Intermediate Similarity NPC181195
0.8101 Intermediate Similarity NPC261125
0.7952 Intermediate Similarity NPC36350
0.7831 Intermediate Similarity NPC470812
0.7821 Intermediate Similarity NPC472256
0.7778 Intermediate Similarity NPC45495
0.775 Intermediate Similarity NPC80088
0.775 Intermediate Similarity NPC475994
0.775 Intermediate Similarity NPC253561
0.7722 Intermediate Similarity NPC470525
0.7722 Intermediate Similarity NPC469646
0.7711 Intermediate Similarity NPC476082
0.7711 Intermediate Similarity NPC278648
0.7711 Intermediate Similarity NPC470165
0.7701 Intermediate Similarity NPC191684
0.7701 Intermediate Similarity NPC183283
0.7674 Intermediate Similarity NPC328539
0.7654 Intermediate Similarity NPC7232
0.7647 Intermediate Similarity NPC118648
0.7647 Intermediate Similarity NPC232156
0.7647 Intermediate Similarity NPC183736
0.7647 Intermediate Similarity NPC145879
0.7647 Intermediate Similarity NPC474732
0.7647 Intermediate Similarity NPC474733
0.7647 Intermediate Similarity NPC475022
0.7647 Intermediate Similarity NPC474778
0.7647 Intermediate Similarity NPC222613
0.7647 Intermediate Similarity NPC31564
0.7625 Intermediate Similarity NPC276769
0.7619 Intermediate Similarity NPC7927
0.7619 Intermediate Similarity NPC230527
0.7595 Intermediate Similarity NPC114236
0.759 Intermediate Similarity NPC151519
0.7586 Intermediate Similarity NPC275740
0.7586 Intermediate Similarity NPC123912
0.7586 Intermediate Similarity NPC86319
0.7586 Intermediate Similarity NPC186688
0.7558 Intermediate Similarity NPC475740
0.7558 Intermediate Similarity NPC58063
0.7531 Intermediate Similarity NPC62336
0.7529 Intermediate Similarity NPC470574
0.7529 Intermediate Similarity NPC469948
0.7529 Intermediate Similarity NPC202868
0.7528 Intermediate Similarity NPC250575
0.75 Intermediate Similarity NPC64600
0.75 Intermediate Similarity NPC215481
0.75 Intermediate Similarity NPC474748
0.7473 Intermediate Similarity NPC192428
0.7471 Intermediate Similarity NPC143767
0.7471 Intermediate Similarity NPC474925
0.7471 Intermediate Similarity NPC206060
0.7471 Intermediate Similarity NPC473229
0.7471 Intermediate Similarity NPC471722
0.7471 Intermediate Similarity NPC131470
0.7468 Intermediate Similarity NPC215050
0.7442 Intermediate Similarity NPC94755
0.7442 Intermediate Similarity NPC20688
0.7442 Intermediate Similarity NPC327115
0.7439 Intermediate Similarity NPC19900
0.7416 Intermediate Similarity NPC185936
0.7416 Intermediate Similarity NPC99380
0.7416 Intermediate Similarity NPC168027
0.7412 Intermediate Similarity NPC59453
0.7412 Intermediate Similarity NPC473246
0.7412 Intermediate Similarity NPC161423
0.7412 Intermediate Similarity NPC472265
0.7412 Intermediate Similarity NPC321187
0.7412 Intermediate Similarity NPC227064
0.7412 Intermediate Similarity NPC329043
0.7412 Intermediate Similarity NPC214043
0.7412 Intermediate Similarity NPC58841
0.7412 Intermediate Similarity NPC85774
0.7412 Intermediate Similarity NPC221758
0.7403 Intermediate Similarity NPC250928
0.7403 Intermediate Similarity NPC10758
0.7386 Intermediate Similarity NPC31985
0.7386 Intermediate Similarity NPC268406
0.7386 Intermediate Similarity NPC119416
0.7386 Intermediate Similarity NPC1015
0.7386 Intermediate Similarity NPC26959
0.7381 Intermediate Similarity NPC158411
0.7381 Intermediate Similarity NPC38796
0.7375 Intermediate Similarity NPC474011
0.7349 Intermediate Similarity NPC472301
0.7349 Intermediate Similarity NPC472478
0.7349 Intermediate Similarity NPC271104
0.7342 Intermediate Similarity NPC261316
0.7342 Intermediate Similarity NPC186042
0.7342 Intermediate Similarity NPC49737
0.7333 Intermediate Similarity NPC109414
0.7333 Intermediate Similarity NPC474304
0.7333 Intermediate Similarity NPC109305
0.7333 Intermediate Similarity NPC474329
0.7333 Intermediate Similarity NPC69454
0.7312 Intermediate Similarity NPC114274
0.7303 Intermediate Similarity NPC48010
0.7303 Intermediate Similarity NPC477711
0.7294 Intermediate Similarity NPC52609
0.7294 Intermediate Similarity NPC1761
0.7294 Intermediate Similarity NPC62214
0.7284 Intermediate Similarity NPC263582
0.7283 Intermediate Similarity NPC471463
0.7273 Intermediate Similarity NPC158778
0.7273 Intermediate Similarity NPC193843
0.7273 Intermediate Similarity NPC249889
0.7273 Intermediate Similarity NPC477710
0.7273 Intermediate Similarity NPC53911
0.7253 Intermediate Similarity NPC166906
0.725 Intermediate Similarity NPC102313
0.725 Intermediate Similarity NPC199316
0.7241 Intermediate Similarity NPC472974
0.7241 Intermediate Similarity NPC51014
0.7241 Intermediate Similarity NPC155011
0.7241 Intermediate Similarity NPC72133
0.7234 Intermediate Similarity NPC112167
0.7229 Intermediate Similarity NPC152061
0.7229 Intermediate Similarity NPC229204
0.7229 Intermediate Similarity NPC470429
0.7229 Intermediate Similarity NPC472490
0.7229 Intermediate Similarity NPC308038
0.7222 Intermediate Similarity NPC63748
0.7222 Intermediate Similarity NPC131872
0.7222 Intermediate Similarity NPC272746
0.7222 Intermediate Similarity NPC172101
0.7209 Intermediate Similarity NPC33913
0.7209 Intermediate Similarity NPC237712
0.7195 Intermediate Similarity NPC470428
0.7195 Intermediate Similarity NPC471061
0.7195 Intermediate Similarity NPC197659
0.7191 Intermediate Similarity NPC310236
0.7191 Intermediate Similarity NPC472983
0.7191 Intermediate Similarity NPC473999
0.7191 Intermediate Similarity NPC309603
0.7191 Intermediate Similarity NPC472973
0.7191 Intermediate Similarity NPC477943
0.7179 Intermediate Similarity NPC469914
0.7176 Intermediate Similarity NPC470813
0.7176 Intermediate Similarity NPC93590
0.7174 Intermediate Similarity NPC279313
0.7174 Intermediate Similarity NPC472932
0.7174 Intermediate Similarity NPC259286
0.7174 Intermediate Similarity NPC470016
0.7174 Intermediate Similarity NPC317586
0.7174 Intermediate Similarity NPC473170
0.7159 Intermediate Similarity NPC93778
0.7159 Intermediate Similarity NPC136548
0.7159 Intermediate Similarity NPC475772
0.7159 Intermediate Similarity NPC141292
0.7159 Intermediate Similarity NPC472324
0.7143 Intermediate Similarity NPC134826
0.7143 Intermediate Similarity NPC474736
0.7143 Intermediate Similarity NPC2482
0.7143 Intermediate Similarity NPC472930
0.7143 Intermediate Similarity NPC471514
0.7128 Intermediate Similarity NPC222011
0.7128 Intermediate Similarity NPC197386
0.7126 Intermediate Similarity NPC476426
0.7126 Intermediate Similarity NPC474853
0.7126 Intermediate Similarity NPC197823
0.7126 Intermediate Similarity NPC179006
0.7125 Intermediate Similarity NPC300940
0.7111 Intermediate Similarity NPC85173
0.7111 Intermediate Similarity NPC126993
0.7108 Intermediate Similarity NPC207772
0.7108 Intermediate Similarity NPC59436
0.7108 Intermediate Similarity NPC476949
0.7108 Intermediate Similarity NPC172066
0.7108 Intermediate Similarity NPC178852
0.7097 Intermediate Similarity NPC305483
0.7097 Intermediate Similarity NPC5532
0.7097 Intermediate Similarity NPC61369
0.7097 Intermediate Similarity NPC471039
0.7097 Intermediate Similarity NPC249954
0.7097 Intermediate Similarity NPC328162
0.7097 Intermediate Similarity NPC96859
0.7097 Intermediate Similarity NPC469545
0.7093 Intermediate Similarity NPC307258
0.7093 Intermediate Similarity NPC110150
0.7093 Intermediate Similarity NPC105173
0.7093 Intermediate Similarity NPC470948
0.7093 Intermediate Similarity NPC66764
0.7089 Intermediate Similarity NPC173321
0.7083 Intermediate Similarity NPC473424
0.7079 Intermediate Similarity NPC328313
0.7079 Intermediate Similarity NPC474854
0.7079 Intermediate Similarity NPC471724
0.7079 Intermediate Similarity NPC292491
0.7079 Intermediate Similarity NPC310752
0.7079 Intermediate Similarity NPC474677
0.7073 Intermediate Similarity NPC472959
0.7073 Intermediate Similarity NPC186554
0.7073 Intermediate Similarity NPC76966
0.7071 Intermediate Similarity NPC177064
0.7065 Intermediate Similarity NPC472976
0.7065 Intermediate Similarity NPC471207
0.7065 Intermediate Similarity NPC472977
0.7065 Intermediate Similarity NPC292793
0.7065 Intermediate Similarity NPC196485

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC242722 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
0.7614 Intermediate Similarity NPD6079 Approved
0.759 Intermediate Similarity NPD3667 Approved
0.7586 Intermediate Similarity NPD5328 Approved
0.7473 Intermediate Similarity NPD4697 Phase 3
0.7442 Intermediate Similarity NPD3618 Phase 1
0.7412 Intermediate Similarity NPD3133 Approved
0.7412 Intermediate Similarity NPD3665 Phase 1
0.7412 Intermediate Similarity NPD3666 Approved
0.7412 Intermediate Similarity NPD4786 Approved
0.7283 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD5221 Approved
0.7283 Intermediate Similarity NPD5222 Approved
0.7241 Intermediate Similarity NPD5279 Phase 3
0.7204 Intermediate Similarity NPD5173 Approved
0.7053 Intermediate Similarity NPD5285 Approved
0.7053 Intermediate Similarity NPD4696 Approved
0.7053 Intermediate Similarity NPD5286 Approved
0.7021 Intermediate Similarity NPD4755 Approved
0.7013 Intermediate Similarity NPD7331 Phase 2
0.6979 Remote Similarity NPD5223 Approved
0.6957 Remote Similarity NPD4202 Approved
0.6907 Remote Similarity NPD5224 Approved
0.6907 Remote Similarity NPD5225 Approved
0.6907 Remote Similarity NPD4633 Approved
0.6907 Remote Similarity NPD5226 Approved
0.6907 Remote Similarity NPD5211 Phase 2
0.6875 Remote Similarity NPD4700 Approved
0.6837 Remote Similarity NPD5174 Approved
0.6837 Remote Similarity NPD5175 Approved
0.6818 Remote Similarity NPD3668 Phase 3
0.6813 Remote Similarity NPD4753 Phase 2
0.6782 Remote Similarity NPD4223 Phase 3
0.6782 Remote Similarity NPD4221 Approved
0.6768 Remote Similarity NPD5141 Approved
0.6744 Remote Similarity NPD5368 Approved
0.6744 Remote Similarity NPD4695 Discontinued
0.6742 Remote Similarity NPD5363 Approved
0.6742 Remote Similarity NPD1696 Phase 3
0.6667 Remote Similarity NPD7341 Phase 2
0.6667 Remote Similarity NPD5690 Phase 2
0.6667 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4754 Approved
0.6634 Remote Similarity NPD5697 Approved
0.6632 Remote Similarity NPD4629 Approved
0.6632 Remote Similarity NPD5210 Approved
0.6629 Remote Similarity NPD4197 Approved
0.6596 Remote Similarity NPD6399 Phase 3
0.6591 Remote Similarity NPD6435 Approved
0.6569 Remote Similarity NPD6011 Approved
0.6569 Remote Similarity NPD6881 Approved
0.6569 Remote Similarity NPD5168 Approved
0.6569 Remote Similarity NPD4729 Approved
0.6569 Remote Similarity NPD4730 Approved
0.6569 Remote Similarity NPD5128 Approved
0.6569 Remote Similarity NPD6899 Approved
0.6556 Remote Similarity NPD5329 Approved
0.6548 Remote Similarity NPD7339 Approved
0.6548 Remote Similarity NPD6942 Approved
0.6535 Remote Similarity NPD4767 Approved
0.6535 Remote Similarity NPD6402 Approved
0.6535 Remote Similarity NPD4768 Approved
0.6535 Remote Similarity NPD5739 Approved
0.6535 Remote Similarity NPD7128 Approved
0.6535 Remote Similarity NPD6675 Approved
0.6517 Remote Similarity NPD5362 Discontinued
0.6512 Remote Similarity NPD3617 Approved
0.6505 Remote Similarity NPD6013 Approved
0.6505 Remote Similarity NPD6014 Approved
0.6505 Remote Similarity NPD6012 Approved
0.6489 Remote Similarity NPD7515 Phase 2
0.6484 Remote Similarity NPD5205 Approved
0.6484 Remote Similarity NPD5786 Approved
0.6484 Remote Similarity NPD4688 Approved
0.6484 Remote Similarity NPD7521 Approved
0.6484 Remote Similarity NPD4690 Approved
0.6484 Remote Similarity NPD7334 Approved
0.6484 Remote Similarity NPD4138 Approved
0.6484 Remote Similarity NPD5330 Approved
0.6484 Remote Similarity NPD6409 Approved
0.6484 Remote Similarity NPD4693 Phase 3
0.6484 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6484 Remote Similarity NPD4694 Approved
0.6484 Remote Similarity NPD4689 Approved
0.6484 Remote Similarity NPD7146 Approved
0.6484 Remote Similarity NPD5280 Approved
0.6484 Remote Similarity NPD6684 Approved
0.6477 Remote Similarity NPD5369 Approved
0.6471 Remote Similarity NPD5701 Approved
0.6463 Remote Similarity NPD4691 Approved
0.6452 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6452 Remote Similarity NPD6101 Approved
0.6442 Remote Similarity NPD5135 Approved
0.6442 Remote Similarity NPD5250 Approved
0.6442 Remote Similarity NPD6883 Approved
0.6442 Remote Similarity NPD7290 Approved
0.6442 Remote Similarity NPD5251 Approved
0.6442 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6442 Remote Similarity NPD4634 Approved
0.6442 Remote Similarity NPD5249 Phase 3
0.6442 Remote Similarity NPD7102 Approved
0.6442 Remote Similarity NPD5247 Approved
0.6442 Remote Similarity NPD5169 Approved
0.6442 Remote Similarity NPD5248 Approved
0.641 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6408 Remote Similarity NPD7320 Approved
0.6404 Remote Similarity NPD4270 Approved
0.6404 Remote Similarity NPD4269 Approved
0.6383 Remote Similarity NPD5785 Approved
0.6381 Remote Similarity NPD5215 Approved
0.6381 Remote Similarity NPD6869 Approved
0.6381 Remote Similarity NPD6650 Approved
0.6381 Remote Similarity NPD8130 Phase 1
0.6381 Remote Similarity NPD5127 Approved
0.6381 Remote Similarity NPD5217 Approved
0.6381 Remote Similarity NPD6617 Approved
0.6381 Remote Similarity NPD6649 Approved
0.6381 Remote Similarity NPD6847 Approved
0.6381 Remote Similarity NPD5216 Approved
0.6364 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4252 Approved
0.6346 Remote Similarity NPD6372 Approved
0.6346 Remote Similarity NPD6373 Approved
0.6344 Remote Similarity NPD6903 Approved
0.6344 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6344 Remote Similarity NPD4518 Approved
0.6341 Remote Similarity NPD4137 Phase 3
0.6333 Remote Similarity NPD4788 Approved
0.6327 Remote Similarity NPD6084 Phase 2
0.6327 Remote Similarity NPD6083 Phase 2
0.6322 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6322 Remote Similarity NPD4271 Approved
0.6322 Remote Similarity NPD4268 Approved
0.6321 Remote Similarity NPD6882 Approved
0.6321 Remote Similarity NPD8297 Approved
0.6316 Remote Similarity NPD6411 Approved
0.6292 Remote Similarity NPD4790 Discontinued
0.6289 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6289 Remote Similarity NPD5695 Phase 3
0.6265 Remote Similarity NPD4747 Approved
0.6262 Remote Similarity NPD4632 Approved
0.625 Remote Similarity NPD5778 Approved
0.625 Remote Similarity NPD5779 Approved
0.625 Remote Similarity NPD4195 Approved
0.6235 Remote Similarity NPD6924 Approved
0.6235 Remote Similarity NPD4058 Approved
0.6235 Remote Similarity NPD6926 Approved
0.6226 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6211 Remote Similarity NPD4096 Approved
0.6204 Remote Similarity NPD5167 Approved
0.6196 Remote Similarity NPD7520 Clinical (unspecified phase)
0.619 Remote Similarity NPD5276 Approved
0.619 Remote Similarity NPD7152 Approved
0.619 Remote Similarity NPD7151 Approved
0.619 Remote Similarity NPD7150 Approved
0.6186 Remote Similarity NPD7748 Approved
0.618 Remote Similarity NPD5790 Clinical (unspecified phase)
0.618 Remote Similarity NPD4822 Approved
0.618 Remote Similarity NPD4819 Approved
0.618 Remote Similarity NPD4820 Approved
0.618 Remote Similarity NPD4821 Approved
0.6173 Remote Similarity NPD3704 Approved
0.617 Remote Similarity NPD6672 Approved
0.617 Remote Similarity NPD5737 Approved
0.6168 Remote Similarity NPD6053 Discontinued
0.6154 Remote Similarity NPD5332 Approved
0.6154 Remote Similarity NPD5331 Approved
0.6154 Remote Similarity NPD7154 Phase 3
0.6147 Remote Similarity NPD6868 Approved
0.6147 Remote Similarity NPD6274 Approved
0.6146 Remote Similarity NPD5284 Approved
0.6146 Remote Similarity NPD5281 Approved
0.6145 Remote Similarity NPD6923 Approved
0.6145 Remote Similarity NPD6922 Approved
0.6129 Remote Similarity NPD4623 Approved
0.6129 Remote Similarity NPD4519 Discontinued
0.61 Remote Similarity NPD7638 Approved
0.61 Remote Similarity NPD5696 Approved
0.6092 Remote Similarity NPD6933 Approved
0.6091 Remote Similarity NPD6009 Approved
0.6091 Remote Similarity NPD6317 Approved
0.6071 Remote Similarity NPD7144 Approved
0.6071 Remote Similarity NPD7143 Approved
0.6064 Remote Similarity NPD3573 Approved
0.6058 Remote Similarity NPD6008 Approved
0.6047 Remote Similarity NPD4687 Approved
0.6047 Remote Similarity NPD5733 Approved
0.6044 Remote Similarity NPD4752 Clinical (unspecified phase)
0.604 Remote Similarity NPD7639 Approved
0.604 Remote Similarity NPD7640 Approved
0.6036 Remote Similarity NPD6314 Approved
0.6036 Remote Similarity NPD6313 Approved
0.6036 Remote Similarity NPD6335 Approved
0.6 Remote Similarity NPD6412 Phase 2
0.6 Remote Similarity NPD7525 Registered
0.6 Remote Similarity NPD7902 Approved
0.5982 Remote Similarity NPD7101 Approved
0.5982 Remote Similarity NPD7100 Approved
0.5977 Remote Similarity NPD8264 Approved
0.5976 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5946 Remote Similarity NPD7115 Discovery

Structure

External Identifiers

PubChem CID   10397152
ChEMBL   CHEMBL470663
ZINC  

Physicochemical Properties

Molecular Weight:  166.10
ALogP:  -0.2925
MLogP:  2.34
XLogP:  0.953
# Rotatable Bonds:  2
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  12

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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