Natural Product: NPC470032

Natural Product ID:  NPC470032
Common Name:   Bromomethylchlamydosporol B
IUPAC Name:   (7R)-3,8-dibromo-4,7-dimethoxy-7,8-dimethyl-5H-pyrano[4,3-b]pyran-2-one
Synonyms:   Bromomethylchlamydosporol B
Molecular Formula:   C12H14Br2O5
Standard InCHIKey:  LZWCFWLSHBIOLI-PIJUOVFKSA-N
Standard InCHI:  InChI=1S/C12H14Br2O5/c1-11(14)9-6(5-18-12(11,2)17-4)8(16-3)7(13)10(15)19-9/h5H2,1-4H3/t11?,12-/m1/s1
Canonical SMILES:  COc1c(Br)c(=O)oc2c1CO[C@@](C2(C)Br)(C)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
NPO25042 Fusarium tricinctum Species Nectriaceae Eukaryota PMID[21090694]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 15.6 ug/ml 16913700
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 15.6 ug/ml 18327911
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 15.6 ug/ml 3286823

  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 NPC470032 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
0.9385 High Similarity NPC280374
0.7971 Intermediate Similarity NPC470033
0.7647 Intermediate Similarity NPC15193
0.7432 Intermediate Similarity NPC178575
0.7368 Intermediate Similarity NPC206507
0.7368 Intermediate Similarity NPC210258
0.7368 Intermediate Similarity NPC147621
0.6849 Remote Similarity NPC476589
0.68 Remote Similarity NPC477117
0.6753 Remote Similarity NPC133098
0.6753 Remote Similarity NPC124072
0.6753 Remote Similarity NPC269103
0.6711 Remote Similarity NPC494
0.6667 Remote Similarity NPC132286
0.6623 Remote Similarity NPC299932
0.6623 Remote Similarity NPC475113
0.6622 Remote Similarity NPC475110
0.6579 Remote Similarity NPC238223
0.6538 Remote Similarity NPC162571
0.6538 Remote Similarity NPC112983
0.6528 Remote Similarity NPC309408
0.6522 Remote Similarity NPC25038
0.6438 Remote Similarity NPC217537
0.6429 Remote Similarity NPC221763
0.6429 Remote Similarity NPC150717
0.6375 Remote Similarity NPC188354
0.6364 Remote Similarity NPC234084
0.6324 Remote Similarity NPC191643
0.6301 Remote Similarity NPC476585
0.6286 Remote Similarity NPC173157
0.6267 Remote Similarity NPC53136
0.6267 Remote Similarity NPC173409
0.6267 Remote Similarity NPC471611
0.625 Remote Similarity NPC146583
0.6203 Remote Similarity NPC59558
0.6173 Remote Similarity NPC177030
0.6164 Remote Similarity NPC133600
0.6163 Remote Similarity NPC8161
0.6154 Remote Similarity NPC79220
0.6143 Remote Similarity NPC218486
0.6133 Remote Similarity NPC2328
0.6133 Remote Similarity NPC475073
0.6104 Remote Similarity NPC469446
0.6081 Remote Similarity NPC429928
0.6071 Remote Similarity NPC85743
0.6071 Remote Similarity NPC102065
0.6049 Remote Similarity NPC316851
0.6024 Remote Similarity NPC225022
0.6024 Remote Similarity NPC238554
0.6 Remote Similarity NPC315285
0.6 Remote Similarity NPC271632
0.5974 Remote Similarity NPC471566
0.5974 Remote Similarity NPC471565
0.5974 Remote Similarity NPC7940
0.5974 Remote Similarity NPC476586
0.5974 Remote Similarity NPC471556
0.5972 Remote Similarity NPC86948
0.5921 Remote Similarity NPC474729
0.5921 Remote Similarity NPC474723
0.5904 Remote Similarity NPC315552
0.5897 Remote Similarity NPC315115
0.5875 Remote Similarity NPC473277
0.5867 Remote Similarity NPC98519
0.5867 Remote Similarity NPC130953
0.5833 Remote Similarity NPC470705
0.5811 Remote Similarity NPC189700
0.5802 Remote Similarity NPC315597
0.5797 Remote Similarity NPC275316
0.5795 Remote Similarity NPC10080
0.5795 Remote Similarity NPC123908
0.5789 Remote Similarity NPC68044
0.5769 Remote Similarity NPC220766
0.5769 Remote Similarity NPC182794
0.5765 Remote Similarity NPC228902
0.5765 Remote Similarity NPC473825
0.5765 Remote Similarity NPC315394
0.5765 Remote Similarity NPC24827
0.5753 Remote Similarity NPC51846
0.575 Remote Similarity NPC313444
0.5732 Remote Similarity NPC181587
0.5732 Remote Similarity NPC316185
0.5714 Remote Similarity NPC473737
0.5714 Remote Similarity NPC476584
0.5696 Remote Similarity NPC37382
0.5696 Remote Similarity NPC191233
0.5694 Remote Similarity NPC151761
0.5694 Remote Similarity NPC159535
0.5694 Remote Similarity NPC478120
0.5679 Remote Similarity NPC470693
0.5679 Remote Similarity NPC151481
0.5658 Remote Similarity NPC79756
0.5658 Remote Similarity NPC26223
0.5647 Remote Similarity NPC271986
0.5641 Remote Similarity NPC471460
0.5641 Remote Similarity NPC308457
0.5641 Remote Similarity NPC475618
0.5641 Remote Similarity NPC25747
0.5641 Remote Similarity NPC148233
0.5638 Remote Similarity NPC327253
0.5632 Remote Similarity NPC199134
0.5632 Remote Similarity NPC286816
0.5618 Remote Similarity NPC474028
0.5618 Remote Similarity NPC474439
0.561 Remote Similarity NPC316029
0.5604 Remote Similarity NPC281172
0.5604 Remote Similarity NPC163606

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470032 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
NPD

Structure

External Identifiers

PubChem CID   53325562
ChEMBL   CHEMBL1651323
ZINC  

Physicochemical Properties

Molecular Weight:  395.92
ALogP:  1.0766
MLogP:  2.01
XLogP:  2.147
# Rotatable Bonds:  8
Polar Surface Area:  53.99
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  19

Download Data

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Similar NPs/Drugs