Natural Product: NPC477707

Natural Product ID:  NPC477707
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H36O3
Standard InCHIKey:  VQRIOCPQBFEFMK-SREVYHEPSA-N
Standard InCHI:  InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(23)22-20(24)17-15-18-21(22)25/h6-7,24H,2-5,8-18H2,1H3/b7-6-
Canonical SMILES:  CCCCC/C=CCCCCCCCCC(=O)C1=C(O)CCCC1=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
NPO33674 Peperomia trineura Species Piperaceae Eukaryota aerial parts Encantado, Rio Grande do Sul, Brazil 2006-DEC PMID[24905499]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT487 Organism Cladosporium cladosporioides Cladosporium cladosporioides Activity = 10 ug 24905499
NPT488 Organism Cladosporium sphaerospermum Cladosporium sphaerospermum Activity = 25 ug 24905499

  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 NPC477707 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
0.871 High Similarity NPC477830
0.8571 High Similarity NPC7029
0.8413 Intermediate Similarity NPC53109
0.8413 Intermediate Similarity NPC143168
0.8358 Intermediate Similarity NPC291062
0.8358 Intermediate Similarity NPC94743
0.8286 Intermediate Similarity NPC477708
0.8226 Intermediate Similarity NPC106851
0.8226 Intermediate Similarity NPC274927
0.8209 Intermediate Similarity NPC262673
0.8209 Intermediate Similarity NPC469914
0.8197 Intermediate Similarity NPC281230
0.8197 Intermediate Similarity NPC192843
0.8103 Intermediate Similarity NPC477458
0.806 Intermediate Similarity NPC146376
0.806 Intermediate Similarity NPC125578
0.806 Intermediate Similarity NPC263382
0.8033 Intermediate Similarity NPC477201
0.803 Intermediate Similarity NPC16119
0.8 Intermediate Similarity NPC264178
0.791 Intermediate Similarity NPC243272
0.791 Intermediate Similarity NPC474619
0.7879 Intermediate Similarity NPC61473
0.7879 Intermediate Similarity NPC98897
0.7812 Intermediate Similarity NPC174447
0.7812 Intermediate Similarity NPC122521
0.7812 Intermediate Similarity NPC251042
0.7812 Intermediate Similarity NPC235242
0.7794 Intermediate Similarity NPC477452
0.7778 Intermediate Similarity NPC320421
0.7727 Intermediate Similarity NPC474400
0.7727 Intermediate Similarity NPC34622
0.7705 Intermediate Similarity NPC281972
0.7705 Intermediate Similarity NPC25417
0.7705 Intermediate Similarity NPC85813
0.7705 Intermediate Similarity NPC261831
0.7705 Intermediate Similarity NPC32467
0.7705 Intermediate Similarity NPC424
0.7705 Intermediate Similarity NPC6095
0.7705 Intermediate Similarity NPC87564
0.7705 Intermediate Similarity NPC88966
0.7705 Intermediate Similarity NPC290563
0.7705 Intermediate Similarity NPC154245
0.7692 Intermediate Similarity NPC40082
0.7681 Intermediate Similarity NPC94488
0.7576 Intermediate Similarity NPC57463
0.7576 Intermediate Similarity NPC151728
0.7571 Intermediate Similarity NPC477455
0.7541 Intermediate Similarity NPC70387
0.7541 Intermediate Similarity NPC1813
0.7541 Intermediate Similarity NPC321062
0.7541 Intermediate Similarity NPC294548
0.7541 Intermediate Similarity NPC139029
0.7541 Intermediate Similarity NPC36061
0.75 Intermediate Similarity NPC44963
0.75 Intermediate Similarity NPC189237
0.75 Intermediate Similarity NPC472684
0.746 Intermediate Similarity NPC18951
0.7377 Intermediate Similarity NPC281245
0.7377 Intermediate Similarity NPC92114
0.7333 Intermediate Similarity NPC275494
0.7333 Intermediate Similarity NPC471409
0.7286 Intermediate Similarity NPC476614
0.7273 Intermediate Similarity NPC243532
0.7273 Intermediate Similarity NPC143857
0.7273 Intermediate Similarity NPC229252
0.726 Intermediate Similarity NPC227396
0.7246 Intermediate Similarity NPC197089
0.7213 Intermediate Similarity NPC262968
0.72 Intermediate Similarity NPC471061
0.7188 Intermediate Similarity NPC179764
0.7188 Intermediate Similarity NPC187777
0.7188 Intermediate Similarity NPC325977
0.7183 Intermediate Similarity NPC250928
0.7183 Intermediate Similarity NPC10758
0.7164 Intermediate Similarity NPC473212
0.7164 Intermediate Similarity NPC15130
0.7164 Intermediate Similarity NPC115752
0.7164 Intermediate Similarity NPC201939
0.7164 Intermediate Similarity NPC138056
0.7164 Intermediate Similarity NPC254449
0.7143 Intermediate Similarity NPC87394
0.7143 Intermediate Similarity NPC278895
0.7121 Intermediate Similarity NPC329550
0.7121 Intermediate Similarity NPC473494
0.7105 Intermediate Similarity NPC478246
0.7105 Intermediate Similarity NPC478247
0.7105 Intermediate Similarity NPC231739
0.7105 Intermediate Similarity NPC189485
0.7101 Intermediate Similarity NPC474304
0.7101 Intermediate Similarity NPC474329
0.7077 Intermediate Similarity NPC268185
0.7077 Intermediate Similarity NPC225929
0.7069 Intermediate Similarity NPC25771
0.7067 Intermediate Similarity NPC180886
0.7059 Intermediate Similarity NPC473210
0.7059 Intermediate Similarity NPC473211
0.7051 Intermediate Similarity NPC275766
0.7051 Intermediate Similarity NPC225515
0.7049 Intermediate Similarity NPC59051
0.7049 Intermediate Similarity NPC224227
0.7049 Intermediate Similarity NPC15325
0.7042 Intermediate Similarity NPC134385
0.7031 Intermediate Similarity NPC473863
0.7031 Intermediate Similarity NPC274290
0.7031 Intermediate Similarity NPC54766
0.7 Intermediate Similarity NPC83965
0.7 Intermediate Similarity NPC137163
0.6986 Remote Similarity NPC288667
0.6986 Remote Similarity NPC84790
0.6984 Remote Similarity NPC39633
0.6984 Remote Similarity NPC309606
0.6984 Remote Similarity NPC139545
0.6974 Remote Similarity NPC473536
0.6974 Remote Similarity NPC165711
0.697 Remote Similarity NPC34416
0.6962 Remote Similarity NPC129080
0.6962 Remote Similarity NPC477271
0.6962 Remote Similarity NPC477269
0.6962 Remote Similarity NPC238991
0.6962 Remote Similarity NPC302661
0.6962 Remote Similarity NPC477270
0.6957 Remote Similarity NPC328089
0.6957 Remote Similarity NPC68343
0.6957 Remote Similarity NPC150162
0.6951 Remote Similarity NPC476079
0.6951 Remote Similarity NPC103743
0.6951 Remote Similarity NPC113370
0.6949 Remote Similarity NPC191337
0.6944 Remote Similarity NPC67608
0.6944 Remote Similarity NPC143396
0.6933 Remote Similarity NPC175079
0.6933 Remote Similarity NPC251435
0.6933 Remote Similarity NPC114236
0.6933 Remote Similarity NPC474011
0.6923 Remote Similarity NPC162741
0.6923 Remote Similarity NPC26139
0.6923 Remote Similarity NPC2482
0.6923 Remote Similarity NPC91332
0.6923 Remote Similarity NPC476809
0.6923 Remote Similarity NPC108955
0.6914 Remote Similarity NPC307112
0.6912 Remote Similarity NPC174560
0.6912 Remote Similarity NPC125312
0.6901 Remote Similarity NPC60120
0.6901 Remote Similarity NPC473213
0.6897 Remote Similarity NPC292463
0.6892 Remote Similarity NPC247586
0.6892 Remote Similarity NPC300940
0.6892 Remote Similarity NPC186042
0.6885 Remote Similarity NPC5413
0.6885 Remote Similarity NPC149821
0.6885 Remote Similarity NPC145311
0.6883 Remote Similarity NPC74410
0.6883 Remote Similarity NPC475994
0.6883 Remote Similarity NPC62336
0.6883 Remote Similarity NPC248624
0.6875 Remote Similarity NPC53733
0.6875 Remote Similarity NPC322461
0.6857 Remote Similarity NPC318420
0.6857 Remote Similarity NPC176215
0.6857 Remote Similarity NPC255863
0.6857 Remote Similarity NPC245947
0.6857 Remote Similarity NPC296436
0.6857 Remote Similarity NPC326268
0.6857 Remote Similarity NPC136164
0.6849 Remote Similarity NPC203819
0.6842 Remote Similarity NPC151622
0.6842 Remote Similarity NPC7629
0.6842 Remote Similarity NPC470525
0.6842 Remote Similarity NPC263582
0.6842 Remote Similarity NPC186554
0.6842 Remote Similarity NPC472305
0.6842 Remote Similarity NPC469646
0.6842 Remote Similarity NPC76966
0.6842 Remote Similarity NPC110725
0.6835 Remote Similarity NPC278459
0.6835 Remote Similarity NPC477372
0.6835 Remote Similarity NPC55869
0.6835 Remote Similarity NPC471898
0.6833 Remote Similarity NPC100380
0.6829 Remote Similarity NPC477479
0.6829 Remote Similarity NPC477478
0.6825 Remote Similarity NPC137396
0.6818 Remote Similarity NPC283502
0.68 Remote Similarity NPC215050
0.68 Remote Similarity NPC474321
0.679 Remote Similarity NPC476412
0.678 Remote Similarity NPC477686
0.6774 Remote Similarity NPC20934
0.6774 Remote Similarity NPC288381
0.6774 Remote Similarity NPC32351
0.6774 Remote Similarity NPC474391
0.6774 Remote Similarity NPC225974
0.6769 Remote Similarity NPC228473
0.6769 Remote Similarity NPC223677
0.6769 Remote Similarity NPC10316
0.6769 Remote Similarity NPC200845
0.6769 Remote Similarity NPC128061
0.6769 Remote Similarity NPC28779

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477707 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
0.8594 High Similarity NPD7331 Phase 2
0.8413 Intermediate Similarity NPD2664 Clinical (unspecified phase)
0.803 Intermediate Similarity NPD6108 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD7341 Phase 2
0.7705 Intermediate Similarity NPD3194 Approved
0.7705 Intermediate Similarity NPD3196 Approved
0.7705 Intermediate Similarity NPD4266 Approved
0.7705 Intermediate Similarity NPD3195 Phase 2
0.7541 Intermediate Similarity NPD3172 Approved
0.75 Intermediate Similarity NPD3704 Approved
0.7213 Intermediate Similarity NPD29 Approved
0.7213 Intermediate Similarity NPD28 Approved
0.72 Intermediate Similarity NPD4756 Discovery
0.7031 Intermediate Similarity NPD4627 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3197 Phase 1
0.6923 Remote Similarity NPD4695 Discontinued
0.6885 Remote Similarity NPD3173 Approved
0.6721 Remote Similarity NPD622 Approved
0.6567 Remote Similarity NPD8779 Phase 3
0.6543 Remote Similarity NPD4223 Phase 3
0.6543 Remote Similarity NPD4221 Approved
0.6506 Remote Similarity NPD5329 Approved
0.65 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6456 Remote Similarity NPD3617 Approved
0.6437 Remote Similarity NPD6079 Approved
0.6429 Remote Similarity NPD4519 Discontinued
0.6429 Remote Similarity NPD5690 Phase 2
0.6429 Remote Similarity NPD4623 Approved
0.6395 Remote Similarity NPD5328 Approved
0.6393 Remote Similarity NPD3174 Discontinued
0.6393 Remote Similarity NPD39 Approved
0.6393 Remote Similarity NPD4222 Approved
0.6386 Remote Similarity NPD3666 Approved
0.6386 Remote Similarity NPD3665 Phase 1
0.6386 Remote Similarity NPD3133 Approved
0.6386 Remote Similarity NPD4197 Approved
0.6341 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6296 Remote Similarity NPD5368 Approved
0.6286 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6279 Remote Similarity NPD4518 Approved
0.6235 Remote Similarity NPD5205 Approved
0.6235 Remote Similarity NPD4138 Approved
0.6235 Remote Similarity NPD4694 Approved
0.6235 Remote Similarity NPD4693 Phase 3
0.6235 Remote Similarity NPD4689 Approved
0.6235 Remote Similarity NPD4688 Approved
0.6235 Remote Similarity NPD5280 Approved
0.6235 Remote Similarity NPD4690 Approved
0.6235 Remote Similarity NPD5279 Phase 3
0.6235 Remote Similarity NPD3618 Phase 1
0.6207 Remote Similarity NPD5783 Phase 3
0.6207 Remote Similarity NPD7285 Clinical (unspecified phase)
0.619 Remote Similarity NPD4786 Approved
0.6145 Remote Similarity NPD3667 Approved
0.6145 Remote Similarity NPD6435 Approved
0.6118 Remote Similarity NPD5363 Approved
0.6076 Remote Similarity NPD8039 Approved
0.6071 Remote Similarity NPD7154 Phase 3
0.6071 Remote Similarity NPD6110 Phase 1
0.6067 Remote Similarity NPD5281 Approved
0.6067 Remote Similarity NPD5284 Approved
0.6067 Remote Similarity NPD7515 Phase 2
0.6066 Remote Similarity NPD5326 Phase 3
0.6053 Remote Similarity NPD4137 Phase 3
0.6049 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6047 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6024 Remote Similarity NPD5369 Approved
0.6023 Remote Similarity NPD6101 Approved
0.6023 Remote Similarity NPD4753 Phase 2
0.6023 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6 Remote Similarity NPD4247 Clinical (unspecified phase)
0.5978 Remote Similarity NPD5221 Approved
0.5978 Remote Similarity NPD5222 Approved
0.5978 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5977 Remote Similarity NPD3573 Approved
0.5976 Remote Similarity NPD4195 Approved
0.5974 Remote Similarity NPD4691 Approved
0.5974 Remote Similarity NPD4747 Approved
0.5955 Remote Similarity NPD4096 Approved
0.5952 Remote Similarity NPD4269 Approved
0.5952 Remote Similarity NPD4270 Approved
0.5949 Remote Similarity NPD4058 Approved
0.5949 Remote Similarity NPD5733 Approved
0.5949 Remote Similarity NPD4687 Approved
0.5934 Remote Similarity NPD5282 Discontinued
0.5934 Remote Similarity NPD7748 Approved
0.5934 Remote Similarity NPD5122 Clinical (unspecified phase)
0.5914 Remote Similarity NPD5173 Approved
0.5904 Remote Similarity NPD4252 Approved
0.5897 Remote Similarity NPD5276 Approved
0.5889 Remote Similarity NPD6411 Approved
0.5882 Remote Similarity NPD5362 Discontinued
0.587 Remote Similarity NPD5210 Approved
0.587 Remote Similarity NPD4629 Approved
0.5862 Remote Similarity NPD5330 Approved
0.5862 Remote Similarity NPD6409 Approved
0.5862 Remote Similarity NPD7334 Approved
0.5862 Remote Similarity NPD6684 Approved
0.5862 Remote Similarity NPD7146 Approved
0.5862 Remote Similarity NPD7521 Approved
0.5862 Remote Similarity NPD5786 Approved
0.5854 Remote Similarity NPD3732 Approved
0.5824 Remote Similarity NPD5779 Approved
0.5824 Remote Similarity NPD5778 Approved
0.5824 Remote Similarity NPD4202 Approved
0.5806 Remote Similarity NPD7614 Phase 1
0.5806 Remote Similarity NPD4697 Phase 3
0.5789 Remote Similarity NPD5285 Approved
0.5789 Remote Similarity NPD3709 Clinical (unspecified phase)
0.5789 Remote Similarity NPD5286 Approved
0.5789 Remote Similarity NPD4696 Approved
0.5778 Remote Similarity NPD46 Approved
0.5778 Remote Similarity NPD6698 Approved
0.5778 Remote Similarity NPD5785 Approved
0.5775 Remote Similarity NPD287 Approved
0.5753 Remote Similarity NPD4193 Approved
0.5753 Remote Similarity NPD4191 Approved
0.5753 Remote Similarity NPD4194 Approved
0.5753 Remote Similarity NPD4192 Approved
0.5747 Remote Similarity NPD1696 Phase 3
0.5745 Remote Similarity NPD6084 Phase 2
0.5745 Remote Similarity NPD4755 Approved
0.5745 Remote Similarity NPD7902 Approved
0.5745 Remote Similarity NPD6083 Phase 2
0.5738 Remote Similarity NPD2270 Approved
0.573 Remote Similarity NPD7513 Clinical (unspecified phase)
0.573 Remote Similarity NPD6903 Approved
0.573 Remote Similarity NPD6672 Approved
0.573 Remote Similarity NPD5737 Approved
0.5729 Remote Similarity NPD5223 Approved
0.5699 Remote Similarity NPD5695 Phase 3
0.5698 Remote Similarity NPD4788 Approved
0.5692 Remote Similarity NPD5343 Approved
0.5682 Remote Similarity NPD6422 Discontinued
0.567 Remote Similarity NPD5225 Approved
0.567 Remote Similarity NPD5224 Approved
0.567 Remote Similarity NPD5211 Phase 2
0.567 Remote Similarity NPD5226 Approved
0.567 Remote Similarity NPD4633 Approved
0.5667 Remote Similarity NPD6080 Approved
0.5667 Remote Similarity NPD6673 Approved
0.5667 Remote Similarity NPD6904 Approved
0.5663 Remote Similarity NPD4271 Approved
0.5663 Remote Similarity NPD4268 Approved
0.5652 Remote Similarity NPD5133 Approved
0.5652 Remote Similarity NPD6399 Phase 3
0.5647 Remote Similarity NPD4139 Approved
0.5647 Remote Similarity NPD4692 Approved
0.5632 Remote Similarity NPD3668 Phase 3
0.5625 Remote Similarity NPD4265 Approved
0.5625 Remote Similarity NPD4700 Approved
0.5612 Remote Similarity NPD5175 Approved
0.5612 Remote Similarity NPD5174 Approved
0.5606 Remote Similarity NPD4220 Pre-registration
0.5604 Remote Similarity NPD5207 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3289512
ZINC  

Physicochemical Properties

Molecular Weight:  348.27
ALogP:  -2.343
MLogP:  3.55
XLogP:  7.539
# Rotatable Bonds:  16
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  25

Download Data

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