Natural Product: NPC476585

Natural Product ID:  NPC476585
Common Name:   Annularin B
IUPAC Name:   5-(hydroxymethyl)-4-methoxy-6-propyl-2H-pyran-2-ol
Synonyms:  
Molecular Formula:   C10H16O4
Standard InCHIKey:  PNESTIDLKFVVIG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H16O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h5,10-12H,3-4,6H2,1-2H3
Canonical SMILES:  CCCC1=C(CO)C(=CC(O1)O)OC
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
NPO33584 Annulatascus triseptatus Species Annulatascaceae Eukaryota Shaker Pond, Alfred, Maine PMID[14575427]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 8 mm 14575427

  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 NPC476585 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
0.9333 High Similarity NPC476586
0.9 High Similarity NPC476584
0.8209 Intermediate Similarity NPC178575
0.7879 Intermediate Similarity NPC132286
0.7761 Intermediate Similarity NPC238223
0.7727 Intermediate Similarity NPC470033
0.7692 Intermediate Similarity NPC471611
0.7083 Intermediate Similarity NPC316851
0.7059 Intermediate Similarity NPC7940
0.7042 Intermediate Similarity NPC59558
0.7015 Intermediate Similarity NPC2328
0.6892 Remote Similarity NPC206507
0.6892 Remote Similarity NPC315552
0.6892 Remote Similarity NPC147621
0.6892 Remote Similarity NPC210258
0.6866 Remote Similarity NPC15193
0.6812 Remote Similarity NPC471556
0.6812 Remote Similarity NPC471566
0.6812 Remote Similarity NPC471565
0.68 Remote Similarity NPC470705
0.6765 Remote Similarity NPC475073
0.6761 Remote Similarity NPC280374
0.6667 Remote Similarity NPC90463
0.6623 Remote Similarity NPC4436
0.6618 Remote Similarity NPC55376
0.6579 Remote Similarity NPC229655
0.6571 Remote Similarity NPC282760
0.6571 Remote Similarity NPC273600
0.6571 Remote Similarity NPC476589
0.6562 Remote Similarity NPC218486
0.6533 Remote Similarity NPC472174
0.6533 Remote Similarity NPC472173
0.6494 Remote Similarity NPC315394
0.6486 Remote Similarity NPC316185
0.6479 Remote Similarity NPC37382
0.6479 Remote Similarity NPC146811
0.6471 Remote Similarity NPC98519
0.6471 Remote Similarity NPC130953
0.6471 Remote Similarity NPC327253
0.6447 Remote Similarity NPC478192
0.6447 Remote Similarity NPC478191
0.6447 Remote Similarity NPC478196
0.6447 Remote Similarity NPC478193
0.6447 Remote Similarity NPC478194
0.6447 Remote Similarity NPC478195
0.6429 Remote Similarity NPC475618
0.64 Remote Similarity NPC132938
0.6364 Remote Similarity NPC51846
0.6364 Remote Similarity NPC221763
0.6351 Remote Similarity NPC473361
0.6351 Remote Similarity NPC329904
0.6351 Remote Similarity NPC315285
0.6351 Remote Similarity NPC315597
0.6341 Remote Similarity NPC126518
0.6341 Remote Similarity NPC475706
0.6338 Remote Similarity NPC470123
0.6338 Remote Similarity NPC96414
0.6333 Remote Similarity NPC160628
0.6324 Remote Similarity NPC474588
0.6324 Remote Similarity NPC474711
0.6322 Remote Similarity NPC320552
0.6316 Remote Similarity NPC315843
0.6308 Remote Similarity NPC9611
0.6308 Remote Similarity NPC151923
0.6301 Remote Similarity NPC470032
0.6296 Remote Similarity NPC323251
0.6296 Remote Similarity NPC324170
0.6286 Remote Similarity NPC473737
0.6269 Remote Similarity NPC135863
0.6265 Remote Similarity NPC163606
0.625 Remote Similarity NPC475675
0.625 Remote Similarity NPC315115
0.625 Remote Similarity NPC475555
0.625 Remote Similarity NPC201356
0.625 Remote Similarity NPC190008
0.6232 Remote Similarity NPC309408
0.622 Remote Similarity NPC142111
0.622 Remote Similarity NPC473315
0.6212 Remote Similarity NPC173157
0.6212 Remote Similarity NPC25038
0.6176 Remote Similarity NPC223679
0.6176 Remote Similarity NPC189700
0.6145 Remote Similarity NPC136699
0.6145 Remote Similarity NPC473308
0.6145 Remote Similarity NPC220167
0.6133 Remote Similarity NPC476037
0.6133 Remote Similarity NPC202011
0.6125 Remote Similarity NPC321728
0.6119 Remote Similarity NPC150717
0.6104 Remote Similarity NPC107654
0.6104 Remote Similarity NPC470686
0.6098 Remote Similarity NPC474028
0.6098 Remote Similarity NPC251026
0.6098 Remote Similarity NPC474439
0.6087 Remote Similarity NPC97570
0.6087 Remote Similarity NPC302564
0.6087 Remote Similarity NPC222852
0.6081 Remote Similarity NPC79220
0.6081 Remote Similarity NPC477117
0.6081 Remote Similarity NPC287705
0.6081 Remote Similarity NPC313444
0.6081 Remote Similarity NPC474823
0.6081 Remote Similarity NPC63873
0.6071 Remote Similarity NPC73166
0.6071 Remote Similarity NPC470124
0.6071 Remote Similarity NPC474424
0.6066 Remote Similarity NPC140501
0.6053 Remote Similarity NPC133098
0.6053 Remote Similarity NPC293114
0.6049 Remote Similarity NPC163362
0.6049 Remote Similarity NPC127295
0.6032 Remote Similarity NPC234084
0.6029 Remote Similarity NPC129150
0.6029 Remote Similarity NPC293437
0.6029 Remote Similarity NPC249850
0.6029 Remote Similarity NPC223804
0.6029 Remote Similarity NPC474869
0.6029 Remote Similarity NPC472445
0.6024 Remote Similarity NPC475714
0.6022 Remote Similarity NPC20673
0.6 Remote Similarity NPC473277
0.6 Remote Similarity NPC191643
0.6 Remote Similarity NPC208473
0.6 Remote Similarity NPC470944
0.6 Remote Similarity NPC170204
0.6 Remote Similarity NPC116934
0.6 Remote Similarity NPC258788
0.6 Remote Similarity NPC475004
0.6 Remote Similarity NPC35756
0.6 Remote Similarity NPC151481
0.5977 Remote Similarity NPC225283
0.5976 Remote Similarity NPC246621
0.5974 Remote Similarity NPC284006
0.5974 Remote Similarity NPC329890
0.5972 Remote Similarity NPC13143
0.5972 Remote Similarity NPC31496
0.5972 Remote Similarity NPC294813
0.597 Remote Similarity NPC329686
0.5955 Remote Similarity NPC280390
0.5955 Remote Similarity NPC189651
0.5955 Remote Similarity NPC475098
0.5952 Remote Similarity NPC475035
0.5942 Remote Similarity NPC254095
0.5938 Remote Similarity NPC291437
0.5938 Remote Similarity NPC474460
0.5938 Remote Similarity NPC328784
0.593 Remote Similarity NPC118077
0.593 Remote Similarity NPC45409
0.593 Remote Similarity NPC475186
0.5921 Remote Similarity NPC316029
0.5921 Remote Similarity NPC4299
0.5921 Remote Similarity NPC476012
0.5915 Remote Similarity NPC26810
0.5914 Remote Similarity NPC244878
0.5909 Remote Similarity NPC3436
0.5909 Remote Similarity NPC303451
0.5909 Remote Similarity NPC474496
0.5909 Remote Similarity NPC6414
0.5904 Remote Similarity NPC471298
0.5904 Remote Similarity NPC313677
0.5902 Remote Similarity NPC138935
0.5902 Remote Similarity NPC12907
0.5897 Remote Similarity NPC476590
0.5897 Remote Similarity NPC114727
0.5897 Remote Similarity NPC24590
0.589 Remote Similarity NPC478099
0.589 Remote Similarity NPC478098
0.589 Remote Similarity NPC19769
0.5882 Remote Similarity NPC475034
0.5882 Remote Similarity NPC470658
0.5875 Remote Similarity NPC473756
0.5862 Remote Similarity NPC103213
0.5862 Remote Similarity NPC475739
0.5862 Remote Similarity NPC470137
0.5862 Remote Similarity NPC29091
0.5862 Remote Similarity NPC182840
0.5862 Remote Similarity NPC474629
0.5862 Remote Similarity NPC255042
0.5857 Remote Similarity NPC322186
0.5857 Remote Similarity NPC133600
0.5857 Remote Similarity NPC318306
0.5846 Remote Similarity NPC474495
0.5846 Remote Similarity NPC473672
0.5846 Remote Similarity NPC71053
0.5846 Remote Similarity NPC59408
0.5844 Remote Similarity NPC159547
0.5844 Remote Similarity NPC477086
0.5844 Remote Similarity NPC477087
0.5843 Remote Similarity NPC470520
0.5833 Remote Similarity NPC315559
0.5833 Remote Similarity NPC68110
0.5833 Remote Similarity NPC211455
0.5833 Remote Similarity NPC474723
0.5833 Remote Similarity NPC188717
0.5833 Remote Similarity NPC474729
0.5833 Remote Similarity NPC471297
0.5823 Remote Similarity NPC161038
0.5814 Remote Similarity NPC472379
0.5814 Remote Similarity NPC211892
0.5811 Remote Similarity NPC469446

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476585 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
0.6418 Remote Similarity NPD585 Clinical (unspecified phase)
0.6341 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6066 Remote Similarity NPD4265 Approved
0.5606 Remote Similarity NPD6927 Phase 3

Structure

External Identifiers

PubChem CID   44566907
ChEMBL   CHEMBL455311
ZINC  

Physicochemical Properties

Molecular Weight:  200.10
ALogP:  -1.1174
MLogP:  2.12
XLogP:  0.844
# Rotatable Bonds:  8
Polar Surface Area:  58.92
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  14

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs