Natural Product: NPC152668

Natural Product ID:  NPC152668
Common Name:   Callyspongynic Acid
IUPAC Name:   (E,30S)-30-hydroxydotriacont-28-en-2,9,14,19,21,31-hexaynoic acid
Synonyms:   Callyspongynic Acid
Molecular Formula:   C32H38O3
Standard InCHIKey:  DDVIOADGWIMPIO-ISGQOPDGSA-N
Standard InCHI:  InChI=1S/C32H38O3/c1-2-31(33)29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)35/h1,27,29,31,33H,3,5,7-8,10,12,17-26H2,(H,34,35)/b29-27+/t31-/m1/s1
Canonical SMILES:  C#C[C@H](/C=C/CCCCCC#CC#CCCCC#CCCCC#CCCCCCC#CC(=O)O)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
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota UNPD*
NPO7174 Callyspongia truncata Species Callyspongiidae Eukaryota PMID[12088440]
NPO13962 Corydalis turtschaninovii Species Papaveraceae Eukaryota UNPD*
NPO16292 Trichosanthes anguina Species Cucurbitaceae Eukaryota UNPD*
NPO18060 Plexaura flava Species Plexauridae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT60 Individual Protein Lysosomal alpha-glucosidase Homo sapiens IC50 = 0.25 ug/ml 12088440

  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 NPC152668 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
0.9808 High Similarity NPC470964
0.9808 High Similarity NPC311648
0.9623 High Similarity NPC48968
0.9623 High Similarity NPC594
0.9615 High Similarity NPC146551
0.9615 High Similarity NPC474513
0.9615 High Similarity NPC470963
0.9057 High Similarity NPC48058
0.8846 High Similarity NPC165447
0.8846 High Similarity NPC9273
0.8846 High Similarity NPC197272
0.8846 High Similarity NPC76198
0.8846 High Similarity NPC224148
0.8846 High Similarity NPC170776
0.8846 High Similarity NPC256656
0.8846 High Similarity NPC475477
0.8846 High Similarity NPC89824
0.8846 High Similarity NPC294278
0.8846 High Similarity NPC477723
0.8846 High Similarity NPC329608
0.8846 High Similarity NPC471959
0.8793 High Similarity NPC470965
0.8772 High Similarity NPC471278
0.8654 High Similarity NPC477727
0.8654 High Similarity NPC471281
0.8654 High Similarity NPC199286
0.8621 High Similarity NPC475984
0.8571 High Similarity NPC265551
0.8571 High Similarity NPC212730
0.8491 Intermediate Similarity NPC55383
0.8462 Intermediate Similarity NPC471276
0.8462 Intermediate Similarity NPC471275
0.8462 Intermediate Similarity NPC471280
0.8462 Intermediate Similarity NPC125122
0.8431 Intermediate Similarity NPC35141
0.8431 Intermediate Similarity NPC124183
0.8364 Intermediate Similarity NPC473532
0.8302 Intermediate Similarity NPC474642
0.8302 Intermediate Similarity NPC473913
0.8302 Intermediate Similarity NPC249670
0.8276 Intermediate Similarity NPC473652
0.8246 Intermediate Similarity NPC44542
0.8214 Intermediate Similarity NPC473735
0.8214 Intermediate Similarity NPC473910
0.8214 Intermediate Similarity NPC473896
0.8214 Intermediate Similarity NPC473725
0.8214 Intermediate Similarity NPC473721
0.8214 Intermediate Similarity NPC471239
0.8214 Intermediate Similarity NPC475353
0.8113 Intermediate Similarity NPC153538
0.8113 Intermediate Similarity NPC85079
0.8113 Intermediate Similarity NPC248884
0.8113 Intermediate Similarity NPC31194
0.807 Intermediate Similarity NPC470966
0.807 Intermediate Similarity NPC470967
0.807 Intermediate Similarity NPC477661
0.807 Intermediate Similarity NPC473847
0.807 Intermediate Similarity NPC161838
0.807 Intermediate Similarity NPC470969
0.807 Intermediate Similarity NPC471960
0.807 Intermediate Similarity NPC475384
0.807 Intermediate Similarity NPC470968
0.8039 Intermediate Similarity NPC101616
0.8 Intermediate Similarity NPC325929
0.8 Intermediate Similarity NPC271282
0.8 Intermediate Similarity NPC66460
0.8 Intermediate Similarity NPC168407
0.7963 Intermediate Similarity NPC72699
0.7931 Intermediate Similarity NPC472445
0.7931 Intermediate Similarity NPC470970
0.7931 Intermediate Similarity NPC471279
0.7931 Intermediate Similarity NPC471277
0.7895 Intermediate Similarity NPC477725
0.7895 Intermediate Similarity NPC477726
0.7869 Intermediate Similarity NPC29697
0.7818 Intermediate Similarity NPC93639
0.7818 Intermediate Similarity NPC151782
0.7736 Intermediate Similarity NPC55063
0.7736 Intermediate Similarity NPC19834
0.7705 Intermediate Similarity NPC477829
0.7679 Intermediate Similarity NPC142092
0.7667 Intermediate Similarity NPC222852
0.7627 Intermediate Similarity NPC193975
0.7586 Intermediate Similarity NPC474644
0.7547 Intermediate Similarity NPC269074
0.7544 Intermediate Similarity NPC477724
0.7544 Intermediate Similarity NPC61177
0.7544 Intermediate Similarity NPC26102
0.7544 Intermediate Similarity NPC187361
0.7541 Intermediate Similarity NPC327112
0.75 Intermediate Similarity NPC59408
0.75 Intermediate Similarity NPC71053
0.746 Intermediate Similarity NPC470320
0.746 Intermediate Similarity NPC226592
0.7458 Intermediate Similarity NPC474643
0.7458 Intermediate Similarity NPC473865
0.7414 Intermediate Similarity NPC110732
0.7414 Intermediate Similarity NPC256209
0.7414 Intermediate Similarity NPC49059
0.7407 Intermediate Similarity NPC157096
0.7407 Intermediate Similarity NPC180575
0.7385 Intermediate Similarity NPC473752
0.7321 Intermediate Similarity NPC291437
0.7321 Intermediate Similarity NPC328784
0.7308 Intermediate Similarity NPC304151
0.7308 Intermediate Similarity NPC149668
0.7255 Intermediate Similarity NPC103236
0.7255 Intermediate Similarity NPC329762
0.7255 Intermediate Similarity NPC27444
0.7193 Intermediate Similarity NPC129263
0.7167 Intermediate Similarity NPC324224
0.7167 Intermediate Similarity NPC472808
0.7143 Intermediate Similarity NPC302310
0.7119 Intermediate Similarity NPC269615
0.7097 Intermediate Similarity NPC329424
0.7097 Intermediate Similarity NPC322186
0.7097 Intermediate Similarity NPC474267
0.7097 Intermediate Similarity NPC322002
0.7077 Intermediate Similarity NPC255863
0.7077 Intermediate Similarity NPC136164
0.7077 Intermediate Similarity NPC245947
0.7069 Intermediate Similarity NPC106531
0.7 Intermediate Similarity NPC474913
0.6984 Remote Similarity NPC328311
0.6964 Remote Similarity NPC471958
0.6949 Remote Similarity NPC34577
0.6949 Remote Similarity NPC284224
0.6935 Remote Similarity NPC469373
0.6897 Remote Similarity NPC473672
0.6897 Remote Similarity NPC474495
0.6875 Remote Similarity NPC113293
0.6875 Remote Similarity NPC26810
0.6866 Remote Similarity NPC26500
0.6866 Remote Similarity NPC99619
0.6825 Remote Similarity NPC318306
0.6825 Remote Similarity NPC329249
0.6818 Remote Similarity NPC323045
0.6818 Remote Similarity NPC317881
0.6786 Remote Similarity NPC308331
0.6774 Remote Similarity NPC323436
0.6774 Remote Similarity NPC129150
0.6731 Remote Similarity NPC15934
0.6727 Remote Similarity NPC108195
0.6724 Remote Similarity NPC473768
0.6721 Remote Similarity NPC317899
0.6719 Remote Similarity NPC243532
0.6719 Remote Similarity NPC299730
0.6716 Remote Similarity NPC328653
0.6716 Remote Similarity NPC146811
0.6667 Remote Similarity NPC217188
0.6667 Remote Similarity NPC213538
0.6667 Remote Similarity NPC206906
0.6667 Remote Similarity NPC256766
0.6667 Remote Similarity NPC474496
0.6667 Remote Similarity NPC476658
0.6667 Remote Similarity NPC470436
0.6667 Remote Similarity NPC223679
0.6618 Remote Similarity NPC49863
0.6618 Remote Similarity NPC225272
0.6618 Remote Similarity NPC478097
0.6615 Remote Similarity NPC55376
0.6615 Remote Similarity NPC321838
0.6615 Remote Similarity NPC201939
0.6607 Remote Similarity NPC474202
0.6607 Remote Similarity NPC474362
0.6607 Remote Similarity NPC276825
0.6571 Remote Similarity NPC476037
0.6567 Remote Similarity NPC318420
0.6567 Remote Similarity NPC323477
0.6567 Remote Similarity NPC326268
0.6557 Remote Similarity NPC137538
0.6552 Remote Similarity NPC267110
0.6545 Remote Similarity NPC116934
0.6508 Remote Similarity NPC323597
0.6508 Remote Similarity NPC323498
0.6508 Remote Similarity NPC294938
0.6508 Remote Similarity NPC211752
0.65 Remote Similarity NPC236872
0.65 Remote Similarity NPC129458
0.65 Remote Similarity NPC473705
0.6481 Remote Similarity NPC269823
0.6471 Remote Similarity NPC476659
0.6471 Remote Similarity NPC476656
0.6471 Remote Similarity NPC213767
0.6462 Remote Similarity NPC321919
0.6462 Remote Similarity NPC81896
0.6452 Remote Similarity NPC52264
0.6452 Remote Similarity NPC45626
0.6452 Remote Similarity NPC54766
0.6452 Remote Similarity NPC274290
0.6452 Remote Similarity NPC473863
0.6441 Remote Similarity NPC474460
0.6441 Remote Similarity NPC288381
0.6441 Remote Similarity NPC473487
0.6441 Remote Similarity NPC59051
0.6441 Remote Similarity NPC20934
0.6429 Remote Similarity NPC6963
0.6429 Remote Similarity NPC236208
0.6429 Remote Similarity NPC138935
0.6429 Remote Similarity NPC143396

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC152668 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
0.7541 Intermediate Similarity NPD4246 Clinical (unspecified phase)
0.6618 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6607 Remote Similarity NPD39 Approved
0.6552 Remote Similarity NPD4220 Pre-registration
0.6418 Remote Similarity NPD3197 Phase 1
0.6316 Remote Similarity NPD4265 Approved
0.625 Remote Similarity NPD5326 Phase 3
0.6203 Remote Similarity NPD5331 Approved
0.6203 Remote Similarity NPD5332 Approved
0.6154 Remote Similarity NPD6109 Phase 1
0.614 Remote Similarity NPD6097 Approved
0.614 Remote Similarity NPD6096 Approved
0.6102 Remote Similarity NPD5343 Approved
0.6066 Remote Similarity NPD6927 Phase 3
0.6034 Remote Similarity NPD4222 Approved
0.6032 Remote Similarity NPD3196 Approved
0.6032 Remote Similarity NPD4266 Approved
0.6032 Remote Similarity NPD3195 Phase 2
0.6032 Remote Similarity NPD3194 Approved
0.6029 Remote Similarity NPD3210 Clinical (unspecified phase)
0.6 Remote Similarity NPD3173 Approved
0.5974 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5974 Remote Similarity NPD4268 Approved
0.5974 Remote Similarity NPD4271 Approved
0.5882 Remote Similarity NPD4191 Approved
0.5882 Remote Similarity NPD4193 Approved
0.5882 Remote Similarity NPD4194 Approved
0.5882 Remote Similarity NPD4192 Approved
0.5873 Remote Similarity NPD3172 Approved
0.5823 Remote Similarity NPD4820 Approved
0.5823 Remote Similarity NPD4819 Approved
0.5823 Remote Similarity NPD4821 Approved
0.5823 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5823 Remote Similarity NPD4252 Approved
0.5823 Remote Similarity NPD4822 Approved
0.5806 Remote Similarity NPD28 Approved
0.5806 Remote Similarity NPD29 Approved
0.5763 Remote Similarity NPD3174 Discontinued
0.575 Remote Similarity NPD4790 Discontinued
0.5714 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5692 Remote Similarity NPD4627 Clinical (unspecified phase)
0.5679 Remote Similarity NPD4269 Approved
0.5679 Remote Similarity NPD4270 Approved
0.5663 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5634 Remote Similarity NPD2685 Clinical (unspecified phase)
0.561 Remote Similarity NPD5362 Discontinued
0.561 Remote Similarity NPD7154 Phase 3
0.5606 Remote Similarity NPD4219 Approved

Structure

External Identifiers

PubChem CID   636783
ChEMBL   CHEMBL465330
ZINC  

Physicochemical Properties

Molecular Weight:  470.28
ALogP:  1.8226
MLogP:  4.65
XLogP:  9.427
# Rotatable Bonds:  16
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  35

Download Data

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