Natural Product: NPC309408

Natural Product ID:  NPC309408
Common Name:   Fulvoplumierin
IUPAC Name:   methyl (7E)-7-[(E)-but-2-enylidene]-1-oxocyclopenta[c]pyran-4-carboxylate
Synonyms:   Fulvoplumierin
Molecular Formula:   C14H12O4
Standard InCHIKey:  RFUJEBHESHKXKW-PRKJJMSOSA-N
Standard InCHI:  InChI=1S/C14H12O4/c1-3-4-5-9-6-7-10-11(13(15)17-2)8-18-14(16)12(9)10/h3-8H,1-2H3/b4-3+,9-5+
Canonical SMILES:  C/C=C/C=C/1C=Cc2c1c(=O)occ2C(=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
NPO17373.1 Cunninghamia lanceolata var. konishii Varieties Cupressaceae Eukaryota UNPD*
NPO3446 Acanthaster planci Species Acanthasteridae Eukaryota UNPD*
NPO6746 Blighia welwitschii Species Sapindaceae Eukaryota UNPD*
NPO13182 Achillea wilhelmsii Species Asteraceae Eukaryota UNPD*
NPO16377 Juniperus ashei Species Cupressaceae Eukaryota UNPD*
NPO21254 Paullinia cupana Species Sapindaceae Eukaryota UNPD*
NPO17707 Dioscorea villosa Species Dioscoreaceae Eukaryota UNPD*
NPO18031 Russula vesca Species Russulaceae Eukaryota UNPD*
NPO21319 Odontella aurita Species Eupodiscaceae Eukaryota UNPD*
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota UNPD*
NPO1624 Yersinia enterocolitica Species Yersiniaceae Bacteria UNPD*
NPO12734 Plumeria rubra Species Apocynaceae Eukaryota bark Indonesia PMID[1965200]
NPO15966 Sassafras officinalis Species Lauraceae Eukaryota UNPD*
NPO9524 Kalanchoe blossfeldiana Species Crassulaceae Eukaryota UNPD*
NPO23695 Setosphaeria turcica Species Pleosporaceae Eukaryota UNPD*
NPO2591 Io fluvialis Species Pleuroceridae Eukaryota UNPD*
NPO16254 Backhousia angustifolia Species Myrtaceae Eukaryota UNPD*
NPO20294 Paramuricea chamaeleon Species Paramuriceidae Eukaryota UNPD*
NPO18768 Haliclona tubifera Species Chalinidae Eukaryota UNPD*
NPO3990 Acacia salicina Species Fabaceae Eukaryota UNPD*
NPO10438 Tanacetum nubigenum Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT453 Cell Line HT-1080 Homo sapiens ED50 = 3.4 ug/ml 1965200
NPT2 Others Unspecified ED50 = 0.7 ug/ml 1965200
NPT2 Others Unspecified ED50 = 3.5 ug/ml 1965200
NPT2 Others Unspecified ED50 = 3 ug/ml 1965200
NPT2 Others Unspecified ED50 = 1.3 ug/ml 1965200
NPT91 Cell Line KB Homo sapiens ED50 = 4.6 ug/ml 1965200
NPT168 Cell Line P388 Mus musculus ED50 = 2.5 ug/ml 1965200
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 = 45 ug/ml 1710653

  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 NPC309408 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
0.8305 Intermediate Similarity NPC150717
0.8136 Intermediate Similarity NPC173157
0.8 Intermediate Similarity NPC51846
0.8 Intermediate Similarity NPC221763
0.7931 Intermediate Similarity NPC191643
0.7903 Intermediate Similarity NPC133600
0.7846 Intermediate Similarity NPC476589
0.7812 Intermediate Similarity NPC2328
0.7778 Intermediate Similarity NPC130953
0.7778 Intermediate Similarity NPC98519
0.7761 Intermediate Similarity NPC477117
0.7742 Intermediate Similarity NPC189700
0.7667 Intermediate Similarity NPC478120
0.7656 Intermediate Similarity NPC15193
0.7586 Intermediate Similarity NPC15789
0.7538 Intermediate Similarity NPC473737
0.7419 Intermediate Similarity NPC86948
0.7414 Intermediate Similarity NPC234084
0.7377 Intermediate Similarity NPC218486
0.7313 Intermediate Similarity NPC471566
0.7313 Intermediate Similarity NPC182794
0.7313 Intermediate Similarity NPC131174
0.7313 Intermediate Similarity NPC471565
0.7288 Intermediate Similarity NPC236338
0.7288 Intermediate Similarity NPC275316
0.7286 Intermediate Similarity NPC59558
0.7273 Intermediate Similarity NPC44343
0.7273 Intermediate Similarity NPC179087
0.7273 Intermediate Similarity NPC132243
0.7273 Intermediate Similarity NPC210303
0.7258 Intermediate Similarity NPC478117
0.7246 Intermediate Similarity NPC287705
0.7231 Intermediate Similarity NPC79756
0.7206 Intermediate Similarity NPC470033
0.7183 Intermediate Similarity NPC133098
0.7123 Intermediate Similarity NPC478192
0.7123 Intermediate Similarity NPC478196
0.7123 Intermediate Similarity NPC478191
0.7123 Intermediate Similarity NPC478195
0.7123 Intermediate Similarity NPC478194
0.7123 Intermediate Similarity NPC478193
0.7121 Intermediate Similarity NPC151648
0.7119 Intermediate Similarity NPC135698
0.7101 Intermediate Similarity NPC132286
0.7101 Intermediate Similarity NPC203335
0.7083 Intermediate Similarity NPC287878
0.7059 Intermediate Similarity NPC273600
0.7059 Intermediate Similarity NPC471556
0.7059 Intermediate Similarity NPC133904
0.7027 Intermediate Similarity NPC470705
0.7015 Intermediate Similarity NPC68110
0.7 Intermediate Similarity NPC280374
0.7 Intermediate Similarity NPC238223
0.6984 Remote Similarity NPC25038
0.697 Remote Similarity NPC429928
0.697 Remote Similarity NPC26223
0.6957 Remote Similarity NPC248125
0.6957 Remote Similarity NPC475555
0.6957 Remote Similarity NPC475675
0.6923 Remote Similarity NPC254095
0.6901 Remote Similarity NPC470693
0.6897 Remote Similarity NPC270706
0.6857 Remote Similarity NPC225272
0.6825 Remote Similarity NPC129710
0.6818 Remote Similarity NPC82465
0.6818 Remote Similarity NPC286189
0.6818 Remote Similarity NPC22897
0.6818 Remote Similarity NPC159650
0.6812 Remote Similarity NPC7940
0.6812 Remote Similarity NPC220766
0.6806 Remote Similarity NPC202011
0.6806 Remote Similarity NPC315285
0.679 Remote Similarity NPC291712
0.678 Remote Similarity NPC128280
0.6769 Remote Similarity NPC135863
0.6769 Remote Similarity NPC249850
0.6769 Remote Similarity NPC129150
0.6769 Remote Similarity NPC293437
0.6769 Remote Similarity NPC294938
0.6765 Remote Similarity NPC155849
0.6765 Remote Similarity NPC474658
0.6765 Remote Similarity NPC475073
0.6761 Remote Similarity NPC474823
0.6753 Remote Similarity NPC271632
0.6714 Remote Similarity NPC191233
0.6714 Remote Similarity NPC315115
0.6714 Remote Similarity NPC37382
0.6712 Remote Similarity NPC178575
0.6711 Remote Similarity NPC68156
0.6711 Remote Similarity NPC473825
0.6667 Remote Similarity NPC223679
0.6667 Remote Similarity NPC151481
0.6667 Remote Similarity NPC148233
0.6667 Remote Similarity NPC308457
0.6667 Remote Similarity NPC57923
0.6667 Remote Similarity NPC25747
0.6667 Remote Similarity NPC21946
0.6667 Remote Similarity NPC315552
0.6667 Remote Similarity NPC475004
0.6667 Remote Similarity NPC475618
0.6667 Remote Similarity NPC88877
0.6667 Remote Similarity NPC471611
0.6667 Remote Similarity NPC161038
0.6667 Remote Similarity NPC473603
0.6667 Remote Similarity NPC281172
0.6667 Remote Similarity NPC476059
0.6667 Remote Similarity NPC476591
0.6622 Remote Similarity NPC238948
0.6622 Remote Similarity NPC316851
0.6622 Remote Similarity NPC12815
0.6622 Remote Similarity NPC215745
0.662 Remote Similarity NPC194871
0.662 Remote Similarity NPC21998
0.6618 Remote Similarity NPC68044
0.6613 Remote Similarity NPC43053
0.6613 Remote Similarity NPC22329
0.661 Remote Similarity NPC47946
0.661 Remote Similarity NPC26600
0.6575 Remote Similarity NPC315597
0.6571 Remote Similarity NPC96414
0.6567 Remote Similarity NPC302564
0.6562 Remote Similarity NPC159535
0.6562 Remote Similarity NPC151761
0.6557 Remote Similarity NPC126184
0.6533 Remote Similarity NPC470686
0.6528 Remote Similarity NPC313444
0.6528 Remote Similarity NPC470256
0.6528 Remote Similarity NPC470032
0.6528 Remote Similarity NPC218477
0.6522 Remote Similarity NPC474774
0.6522 Remote Similarity NPC474723
0.6522 Remote Similarity NPC474729
0.6515 Remote Similarity NPC474825
0.65 Remote Similarity NPC87137
0.65 Remote Similarity NPC197467
0.6494 Remote Similarity NPC275530
0.6494 Remote Similarity NPC315394
0.6494 Remote Similarity NPC471225
0.6486 Remote Similarity NPC316185
0.6479 Remote Similarity NPC469446
0.6479 Remote Similarity NPC146811
0.6479 Remote Similarity NPC124586
0.6479 Remote Similarity NPC201356
0.6462 Remote Similarity NPC474913
0.6452 Remote Similarity NPC220191
0.6452 Remote Similarity NPC221467
0.6447 Remote Similarity NPC210258
0.6447 Remote Similarity NPC329826
0.6447 Remote Similarity NPC206507
0.6447 Remote Similarity NPC147621
0.6447 Remote Similarity NPC469414
0.6447 Remote Similarity NPC68624
0.6438 Remote Similarity NPC236208
0.6429 Remote Similarity NPC26078
0.6429 Remote Similarity NPC477457
0.6429 Remote Similarity NPC477456
0.6429 Remote Similarity NPC473658
0.642 Remote Similarity NPC16488
0.642 Remote Similarity NPC211455
0.642 Remote Similarity NPC188717
0.6406 Remote Similarity NPC474805
0.64 Remote Similarity NPC474705
0.64 Remote Similarity NPC284006
0.6395 Remote Similarity NPC193396
0.6395 Remote Similarity NPC32944
0.6393 Remote Similarity NPC128520
0.6393 Remote Similarity NPC90490
0.6389 Remote Similarity NPC470442
0.6377 Remote Similarity NPC263732
0.6364 Remote Similarity NPC245002
0.6364 Remote Similarity NPC4492
0.6364 Remote Similarity NPC4509
0.6364 Remote Similarity NPC51391
0.6353 Remote Similarity NPC51358
0.6353 Remote Similarity NPC307092
0.6351 Remote Similarity NPC316029
0.6338 Remote Similarity NPC282760
0.6338 Remote Similarity NPC470123
0.6338 Remote Similarity NPC470688
0.6324 Remote Similarity NPC86789
0.6324 Remote Similarity NPC97570
0.6316 Remote Similarity NPC114727
0.6316 Remote Similarity NPC107654
0.6316 Remote Similarity NPC476590
0.6316 Remote Similarity NPC281043
0.6316 Remote Similarity NPC315843
0.6316 Remote Similarity NPC476355
0.6308 Remote Similarity NPC317796
0.6301 Remote Similarity NPC475760
0.6301 Remote Similarity NPC63873
0.6301 Remote Similarity NPC79220
0.629 Remote Similarity NPC82446
0.6282 Remote Similarity NPC475711
0.6282 Remote Similarity NPC316324
0.6279 Remote Similarity NPC224270
0.6271 Remote Similarity NPC40805
0.6267 Remote Similarity NPC112983
0.6267 Remote Similarity NPC293114
0.6267 Remote Similarity NPC162571
0.6267 Remote Similarity NPC84038

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC309408 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
0.6885 Remote Similarity NPD6927 Phase 3
0.6296 Remote Similarity NPD5209 Approved
0.629 Remote Similarity NPD4220 Pre-registration
0.6282 Remote Similarity NPD4756 Discovery
0.6167 Remote Similarity NPD6097 Approved
0.6167 Remote Similarity NPD6096 Approved
0.6143 Remote Similarity NPD9418 Clinical (unspecified phase)
0.6071 Remote Similarity NPD9115 Approved
0.6029 Remote Similarity NPD8779 Phase 3
0.6 Remote Similarity NPD9411 Phase 1
0.5972 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5873 Remote Similarity NPD5343 Approved
0.5833 Remote Similarity NPD9091 Suspended
0.5833 Remote Similarity NPD9297 Discontinued
0.5823 Remote Similarity NPD8039 Approved
0.5747 Remote Similarity NPD1282 Approved
0.5714 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5676 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5625 Remote Similarity NPD1452 Discontinued
0.56 Remote Similarity NPD6108 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5281541
ChEMBL   CHEMBL445545
ZINC  

Physicochemical Properties

Molecular Weight:  244.07
ALogP:  1.3952
MLogP:  2.56
XLogP:  2.582
# Rotatable Bonds:  5
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  18

Download Data

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