Natural Product: NPC478089

Natural Product ID:  NPC478089
Common Name:   Merulin C
IUPAC Name:  
Synonyms:   Merulin C
Molecular Formula:   C15H22O5
Standard InCHIKey:  NELFNNHUMIOVCO-KREAIGTHSA-N
Standard InCHI:  InChI=1S/C15H22O5/c1-12(2)5-4-10(17)13(3)15(12)7-6-14(18,9-16)11(8-15)19-20-13/h4-5,11,16,18H,6-9H2,1-3H3/t11-,13-,14?,15-/m1/s1
Canonical SMILES:  OCC1(O)CC[C@@]23C[C@H]1OO[C@]3(C)C(=O)C=CC2(C)C
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
NPO33551 Thai mangrove-derived fungus Species NA NA isolated from the leaves of Xylocarpus granatum Samutsakorn Province, Thailand 2008-JUL PMID[21954864]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus FC = 10 21954864
NPT737 Cell Line HUVEC Homo sapiens IC50 = 900 nM 21954864
NPT737 Cell Line HUVEC Homo sapiens Inhibition = 90 % 21954864
NPT737 Cell Line HUVEC Homo sapiens Inhibition = 50 % 21954864

  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 NPC478089 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
0.8182 Intermediate Similarity NPC470184
0.8125 Intermediate Similarity NPC196227
0.8095 Intermediate Similarity NPC90769
0.8065 Intermediate Similarity NPC472324
0.8058 Intermediate Similarity NPC293850
0.8041 Intermediate Similarity NPC474602
0.8 Intermediate Similarity NPC146945
0.8 Intermediate Similarity NPC171888
0.8 Intermediate Similarity NPC473099
0.7979 Intermediate Similarity NPC158778
0.7917 Intermediate Similarity NPC116726
0.7917 Intermediate Similarity NPC99380
0.7905 Intermediate Similarity NPC235077
0.79 Intermediate Similarity NPC472972
0.79 Intermediate Similarity NPC144956
0.7895 Intermediate Similarity NPC473100
0.7857 Intermediate Similarity NPC476245
0.7857 Intermediate Similarity NPC473170
0.7857 Intermediate Similarity NPC200702
0.785 Intermediate Similarity NPC208998
0.785 Intermediate Similarity NPC198539
0.785 Intermediate Similarity NPC49451
0.785 Intermediate Similarity NPC7921
0.7843 Intermediate Similarity NPC191892
0.783 Intermediate Similarity NPC201992
0.7826 Intermediate Similarity NPC64600
0.7818 Intermediate Similarity NPC469488
0.7812 Intermediate Similarity NPC472325
0.7812 Intermediate Similarity NPC128672
0.781 Intermediate Similarity NPC27814
0.781 Intermediate Similarity NPC214644
0.7788 Intermediate Similarity NPC144854
0.7788 Intermediate Similarity NPC3316
0.7778 Intermediate Similarity NPC473158
0.7766 Intermediate Similarity NPC262026
0.7757 Intermediate Similarity NPC11252
0.7757 Intermediate Similarity NPC289312
0.7757 Intermediate Similarity NPC474516
0.7755 Intermediate Similarity NPC472976
0.7755 Intermediate Similarity NPC103527
0.7755 Intermediate Similarity NPC472977
0.7745 Intermediate Similarity NPC478176
0.7714 Intermediate Similarity NPC65941
0.7714 Intermediate Similarity NPC154608
0.7714 Intermediate Similarity NPC192813
0.7714 Intermediate Similarity NPC277017
0.7706 Intermediate Similarity NPC152199
0.7706 Intermediate Similarity NPC134869
0.7706 Intermediate Similarity NPC328374
0.7706 Intermediate Similarity NPC40632
0.7706 Intermediate Similarity NPC96312
0.7706 Intermediate Similarity NPC235539
0.7706 Intermediate Similarity NPC251236
0.77 Intermediate Similarity NPC18509
0.77 Intermediate Similarity NPC273269
0.7685 Intermediate Similarity NPC51978
0.7685 Intermediate Similarity NPC73300
0.7685 Intermediate Similarity NPC255017
0.7685 Intermediate Similarity NPC194100
0.7685 Intermediate Similarity NPC108721
0.7677 Intermediate Similarity NPC472824
0.7677 Intermediate Similarity NPC272617
0.7667 Intermediate Similarity NPC478084
0.7658 Intermediate Similarity NPC470777
0.7653 Intermediate Similarity NPC477436
0.7653 Intermediate Similarity NPC477435
0.7642 Intermediate Similarity NPC41405
0.7642 Intermediate Similarity NPC20192
0.7636 Intermediate Similarity NPC27999
0.7636 Intermediate Similarity NPC287343
0.7636 Intermediate Similarity NPC122033
0.7636 Intermediate Similarity NPC97908
0.7636 Intermediate Similarity NPC470854
0.7636 Intermediate Similarity NPC477116
0.7636 Intermediate Similarity NPC474654
0.7634 Intermediate Similarity NPC169941
0.7634 Intermediate Similarity NPC251475
0.7629 Intermediate Similarity NPC134321
0.7624 Intermediate Similarity NPC114274
0.7619 Intermediate Similarity NPC220229
0.7619 Intermediate Similarity NPC475060
0.7619 Intermediate Similarity NPC83744
0.7619 Intermediate Similarity NPC165873
0.7615 Intermediate Similarity NPC473798
0.7615 Intermediate Similarity NPC18547
0.7615 Intermediate Similarity NPC474906
0.7596 Intermediate Similarity NPC160843
0.7596 Intermediate Similarity NPC40170
0.7593 Intermediate Similarity NPC152117
0.7593 Intermediate Similarity NPC234042
0.7589 Intermediate Similarity NPC478051
0.7579 Intermediate Similarity NPC94666
0.7579 Intermediate Similarity NPC179591
0.7576 Intermediate Similarity NPC245972
0.7576 Intermediate Similarity NPC471207
0.7576 Intermediate Similarity NPC196485
0.7576 Intermediate Similarity NPC258674
0.757 Intermediate Similarity NPC5284
0.757 Intermediate Similarity NPC210005
0.7568 Intermediate Similarity NPC297179
0.7568 Intermediate Similarity NPC17772
0.7568 Intermediate Similarity NPC204552
0.7568 Intermediate Similarity NPC188667
0.7568 Intermediate Similarity NPC251310
0.7553 Intermediate Similarity NPC136114
0.7553 Intermediate Similarity NPC40687
0.7551 Intermediate Similarity NPC185936
0.7551 Intermediate Similarity NPC168027
0.7551 Intermediate Similarity NPC472978
0.7551 Intermediate Similarity NPC155304
0.7547 Intermediate Similarity NPC217201
0.7547 Intermediate Similarity NPC272576
0.7547 Intermediate Similarity NPC329417
0.7545 Intermediate Similarity NPC207217
0.7526 Intermediate Similarity NPC77263
0.7526 Intermediate Similarity NPC250592
0.7524 Intermediate Similarity NPC260268
0.7524 Intermediate Similarity NPC296945
0.7524 Intermediate Similarity NPC476027
0.7524 Intermediate Similarity NPC166607
0.7524 Intermediate Similarity NPC319077
0.7524 Intermediate Similarity NPC181357
0.7524 Intermediate Similarity NPC149047
0.7524 Intermediate Similarity NPC50692
0.7524 Intermediate Similarity NPC202167
0.7524 Intermediate Similarity NPC85829
0.7524 Intermediate Similarity NPC102352
0.7524 Intermediate Similarity NPC152695
0.7524 Intermediate Similarity NPC150531
0.7524 Intermediate Similarity NPC97202
0.7524 Intermediate Similarity NPC214264
0.7524 Intermediate Similarity NPC48733
0.7524 Intermediate Similarity NPC302607
0.7524 Intermediate Similarity NPC49958
0.7524 Intermediate Similarity NPC323834
0.7524 Intermediate Similarity NPC171137
0.75 Intermediate Similarity NPC41070
0.75 Intermediate Similarity NPC471243
0.75 Intermediate Similarity NPC477438
0.75 Intermediate Similarity NPC475775
0.75 Intermediate Similarity NPC247957
0.75 Intermediate Similarity NPC249187
0.75 Intermediate Similarity NPC476529
0.75 Intermediate Similarity NPC474229
0.75 Intermediate Similarity NPC275583
0.75 Intermediate Similarity NPC270046
0.75 Intermediate Similarity NPC279143
0.75 Intermediate Similarity NPC477437
0.75 Intermediate Similarity NPC298904
0.75 Intermediate Similarity NPC264048
0.7478 Intermediate Similarity NPC473255
0.7477 Intermediate Similarity NPC87335
0.7477 Intermediate Similarity NPC77089
0.7477 Intermediate Similarity NPC11710
0.7477 Intermediate Similarity NPC163004
0.7477 Intermediate Similarity NPC300026
0.7477 Intermediate Similarity NPC309433
0.7476 Intermediate Similarity NPC112613
0.7474 Intermediate Similarity NPC471267
0.7474 Intermediate Similarity NPC79573
0.7455 Intermediate Similarity NPC247069
0.7453 Intermediate Similarity NPC43285
0.7453 Intermediate Similarity NPC44063
0.7453 Intermediate Similarity NPC58370
0.7453 Intermediate Similarity NPC477916
0.7449 Intermediate Similarity NPC136801
0.7449 Intermediate Similarity NPC230332
0.7447 Intermediate Similarity NPC471987
0.7434 Intermediate Similarity NPC112038
0.7434 Intermediate Similarity NPC107338
0.7434 Intermediate Similarity NPC109607
0.7431 Intermediate Similarity NPC205534
0.7431 Intermediate Similarity NPC472002
0.7429 Intermediate Similarity NPC209502
0.7429 Intermediate Similarity NPC204833
0.7429 Intermediate Similarity NPC65523
0.7429 Intermediate Similarity NPC284865
0.7429 Intermediate Similarity NPC475036
0.7426 Intermediate Similarity NPC469528
0.7426 Intermediate Similarity NPC61369
0.7426 Intermediate Similarity NPC94337
0.7426 Intermediate Similarity NPC5532
0.7426 Intermediate Similarity NPC469545
0.7426 Intermediate Similarity NPC469369
0.7419 Intermediate Similarity NPC67254
0.7407 Intermediate Similarity NPC5103
0.7404 Intermediate Similarity NPC473424
0.74 Intermediate Similarity NPC473172
0.74 Intermediate Similarity NPC477439
0.74 Intermediate Similarity NPC23170
0.7387 Intermediate Similarity NPC179626
0.7383 Intermediate Similarity NPC168883
0.7379 Intermediate Similarity NPC474720
0.7379 Intermediate Similarity NPC15390
0.7379 Intermediate Similarity NPC316964
0.7374 Intermediate Similarity NPC131872
0.7374 Intermediate Similarity NPC473167
0.7374 Intermediate Similarity NPC73457
0.7368 Intermediate Similarity NPC275675
0.7368 Intermediate Similarity NPC102822

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478089 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
0.7905 Intermediate Similarity NPD4634 Approved
0.79 Intermediate Similarity NPD5286 Approved
0.79 Intermediate Similarity NPD5285 Approved
0.79 Intermediate Similarity NPD4696 Approved
0.7745 Intermediate Similarity NPD5211 Phase 2
0.7745 Intermediate Similarity NPD5226 Approved
0.7745 Intermediate Similarity NPD4633 Approved
0.7745 Intermediate Similarity NPD5225 Approved
0.7745 Intermediate Similarity NPD5224 Approved
0.77 Intermediate Similarity NPD4755 Approved
0.767 Intermediate Similarity NPD5174 Approved
0.767 Intermediate Similarity NPD5175 Approved
0.7647 Intermediate Similarity NPD5223 Approved
0.76 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5222 Approved
0.76 Intermediate Similarity NPD5221 Approved
0.7596 Intermediate Similarity NPD5141 Approved
0.7549 Intermediate Similarity NPD4700 Approved
0.7525 Intermediate Similarity NPD5173 Approved
0.7523 Intermediate Similarity NPD4632 Approved
0.7453 Intermediate Similarity NPD5697 Approved
0.7383 Intermediate Similarity NPD4729 Approved
0.7383 Intermediate Similarity NPD6881 Approved
0.7383 Intermediate Similarity NPD6899 Approved
0.7383 Intermediate Similarity NPD4730 Approved
0.7374 Intermediate Similarity NPD6079 Approved
0.7315 Intermediate Similarity NPD6012 Approved
0.7315 Intermediate Similarity NPD6013 Approved
0.7315 Intermediate Similarity NPD6014 Approved
0.7281 Intermediate Similarity NPD6319 Approved
0.7273 Intermediate Similarity NPD8297 Approved
0.7255 Intermediate Similarity NPD4697 Phase 3
0.7248 Intermediate Similarity NPD7102 Approved
0.7248 Intermediate Similarity NPD6883 Approved
0.7248 Intermediate Similarity NPD5248 Approved
0.7248 Intermediate Similarity NPD7290 Approved
0.7248 Intermediate Similarity NPD5249 Phase 3
0.7248 Intermediate Similarity NPD5250 Approved
0.7248 Intermediate Similarity NPD5247 Approved
0.7248 Intermediate Similarity NPD5251 Approved
0.7222 Intermediate Similarity NPD5128 Approved
0.7222 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6011 Approved
0.7196 Intermediate Similarity NPD4767 Approved
0.7196 Intermediate Similarity NPD6675 Approved
0.7196 Intermediate Similarity NPD7128 Approved
0.7196 Intermediate Similarity NPD4768 Approved
0.7196 Intermediate Similarity NPD6402 Approved
0.7196 Intermediate Similarity NPD5739 Approved
0.7182 Intermediate Similarity NPD5217 Approved
0.7182 Intermediate Similarity NPD6649 Approved
0.7182 Intermediate Similarity NPD6847 Approved
0.7182 Intermediate Similarity NPD6869 Approved
0.7182 Intermediate Similarity NPD6617 Approved
0.7182 Intermediate Similarity NPD6650 Approved
0.7182 Intermediate Similarity NPD5215 Approved
0.7182 Intermediate Similarity NPD5216 Approved
0.7182 Intermediate Similarity NPD8130 Phase 1
0.7172 Intermediate Similarity NPD5328 Approved
0.717 Intermediate Similarity NPD4754 Approved
0.7168 Intermediate Similarity NPD6009 Approved
0.713 Intermediate Similarity NPD6054 Approved
0.713 Intermediate Similarity NPD5701 Approved
0.7117 Intermediate Similarity NPD6882 Approved
0.7091 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5135 Approved
0.7091 Intermediate Similarity NPD5169 Approved
0.7069 Intermediate Similarity NPD6015 Approved
0.7069 Intermediate Similarity NPD6016 Approved
0.7064 Intermediate Similarity NPD7320 Approved
0.7041 Intermediate Similarity NPD3618 Phase 1
0.7027 Intermediate Similarity NPD5127 Approved
0.7009 Intermediate Similarity NPD6370 Approved
0.7009 Intermediate Similarity NPD5988 Approved
0.7 Intermediate Similarity NPD4753 Phase 2
0.7 Intermediate Similarity NPD6372 Approved
0.7 Intermediate Similarity NPD6373 Approved
0.699 Remote Similarity NPD5210 Approved
0.699 Remote Similarity NPD4629 Approved
0.6961 Remote Similarity NPD4202 Approved
0.6947 Remote Similarity NPD4695 Discontinued
0.6923 Remote Similarity NPD5983 Phase 2
0.6909 Remote Similarity NPD5168 Approved
0.6893 Remote Similarity NPD5282 Discontinued
0.6891 Remote Similarity NPD7492 Approved
0.6863 Remote Similarity NPD7515 Phase 2
0.6842 Remote Similarity NPD5167 Approved
0.6838 Remote Similarity NPD6059 Approved
0.6833 Remote Similarity NPD6616 Approved
0.6807 Remote Similarity NPD8328 Phase 3
0.6807 Remote Similarity NPD7604 Phase 2
0.6804 Remote Similarity NPD3667 Approved
0.68 Remote Similarity NPD3573 Approved
0.6783 Remote Similarity NPD6274 Approved
0.6777 Remote Similarity NPD7078 Approved
0.6771 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6768 Remote Similarity NPD1696 Phase 3
0.6752 Remote Similarity NPD7100 Approved
0.6752 Remote Similarity NPD7101 Approved
0.6726 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6724 Remote Similarity NPD6317 Approved
0.6721 Remote Similarity NPD7736 Approved
0.67 Remote Similarity NPD3574 Clinical (unspecified phase)
0.67 Remote Similarity NPD5690 Phase 2
0.67 Remote Similarity NPD5279 Phase 3
0.6699 Remote Similarity NPD6411 Approved
0.6696 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6694 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD3133 Approved
0.6667 Remote Similarity NPD6335 Approved
0.6667 Remote Similarity NPD6313 Approved
0.6667 Remote Similarity NPD6314 Approved
0.6667 Remote Similarity NPD4786 Approved
0.6667 Remote Similarity NPD3665 Phase 1
0.6667 Remote Similarity NPD3666 Approved
0.6667 Remote Similarity NPD6412 Phase 2
0.661 Remote Similarity NPD4522 Approved
0.6581 Remote Similarity NPD7115 Discovery
0.6581 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6008 Approved
0.6571 Remote Similarity NPD7748 Approved
0.6549 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6542 Remote Similarity NPD7902 Approved
0.6542 Remote Similarity NPD6084 Phase 2
0.6542 Remote Similarity NPD6083 Phase 2
0.6509 Remote Similarity NPD5695 Phase 3
0.6505 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6505 Remote Similarity NPD6101 Approved
0.6504 Remote Similarity NPD8293 Discontinued
0.65 Remote Similarity NPD6921 Approved
0.65 Remote Similarity NPD6291 Clinical (unspecified phase)
0.65 Remote Similarity NPD4197 Approved
0.6496 Remote Similarity NPD6868 Approved
0.6436 Remote Similarity NPD5329 Approved
0.6436 Remote Similarity NPD1694 Approved
0.6392 Remote Similarity NPD3617 Approved
0.6373 Remote Similarity NPD5280 Approved
0.6373 Remote Similarity NPD4694 Approved
0.6364 Remote Similarity NPD6909 Approved
0.6364 Remote Similarity NPD6908 Approved
0.6355 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6348 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6346 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6337 Remote Similarity NPD3668 Phase 3
0.633 Remote Similarity NPD5696 Approved
0.6321 Remote Similarity NPD5778 Approved
0.6321 Remote Similarity NPD6399 Phase 3
0.6321 Remote Similarity NPD5779 Approved
0.632 Remote Similarity NPD6033 Approved
0.6316 Remote Similarity NPD6686 Approved
0.63 Remote Similarity NPD4221 Approved
0.63 Remote Similarity NPD4223 Phase 3
0.629 Remote Similarity NPD7507 Approved
0.6264 Remote Similarity NPD7331 Phase 2
0.6262 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6262 Remote Similarity NPD7900 Approved
0.625 Remote Similarity NPD3703 Phase 2
0.6226 Remote Similarity NPD5284 Approved
0.6226 Remote Similarity NPD5281 Approved
0.6216 Remote Similarity NPD5344 Discontinued
0.6214 Remote Similarity NPD4623 Approved
0.6214 Remote Similarity NPD4519 Discontinued
0.6182 Remote Similarity NPD4225 Approved
0.6182 Remote Similarity NPD7638 Approved
0.6154 Remote Similarity NPD7341 Phase 2
0.6142 Remote Similarity NPD7319 Approved
0.6132 Remote Similarity NPD46 Approved
0.6132 Remote Similarity NPD6698 Approved
0.6126 Remote Similarity NPD7640 Approved
0.6126 Remote Similarity NPD7639 Approved
0.6111 Remote Similarity NPD2664 Clinical (unspecified phase)
0.61 Remote Similarity NPD7525 Registered
0.61 Remote Similarity NPD5368 Approved
0.6098 Remote Similarity NPD8517 Approved
0.6098 Remote Similarity NPD8513 Phase 3
0.6098 Remote Similarity NPD8515 Approved
0.6098 Remote Similarity NPD8516 Approved
0.6095 Remote Similarity NPD5737 Approved
0.6095 Remote Similarity NPD6672 Approved
0.6087 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6078 Remote Similarity NPD6110 Phase 1
0.6058 Remote Similarity NPD4690 Approved
0.6058 Remote Similarity NPD4688 Approved
0.6058 Remote Similarity NPD4689 Approved
0.6058 Remote Similarity NPD4693 Phase 3
0.6058 Remote Similarity NPD4138 Approved
0.6058 Remote Similarity NPD5205 Approved
0.6047 Remote Similarity NPD7260 Phase 2
0.6019 Remote Similarity NPD5133 Approved
0.6018 Remote Similarity NPD5091 Approved
0.6 Remote Similarity NPD4195 Approved
0.6 Remote Similarity NPD7645 Phase 2
0.598 Remote Similarity NPD6435 Approved
0.5969 Remote Similarity NPD5956 Approved
0.5966 Remote Similarity NPD6053 Discontinued
0.5943 Remote Similarity NPD4518 Approved
0.5932 Remote Similarity NPD6371 Approved
0.5926 Remote Similarity NPD7983 Approved
0.5926 Remote Similarity NPD5694 Approved
0.5922 Remote Similarity NPD4788 Approved

Structure

External Identifiers

PubChem CID   70691780
ChEMBL   CHEMBL2018291
ZINC  

Physicochemical Properties

Molecular Weight:  282.15
ALogP:  0.7654
MLogP:  2.56
XLogP:  0.652
# Rotatable Bonds:  6
Polar Surface Area:  75.99
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  20

Download Data

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