Natural Product: NPC46761

Natural Product ID:  NPC46761
Common Name:   Rezishanone D
IUPAC Name:  
Synonyms:   Rezishanone D
Molecular Formula:   C18H26O5
Standard InCHIKey:  YVLSHRWZRCIYQN-JNULFILWSA-N
Standard InCHI:  InChI=1S/C18H26O5/c1-5-7-8-9-12(19)14-11-10-13(23-6-2)17(3,15(14)20)16(21)18(11,4)22/h5,7,11,13,19,22H,6,8-10H2,1-4H3/b7-5+,14-12+/t11-,13-,17+,18-/m0/s1
Canonical SMILES:  C/C=C/CC/C(=C1/[C@@H]2C[C@@H]([C@](C1=O)(C(=O)[C@@]2(C)O)C)OCC)/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
NPO32492 penicillium notatum Species Aspergillaceae Eukaryota PMID[15974609]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 12 mm 24411199
NPT20 Organism Candida albicans Candida albicans IZ = 13 mm 20039643
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 12 mm 17844994

  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 NPC46761 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
0.9485 High Similarity NPC32006
0.9485 High Similarity NPC85529
0.8571 High Similarity NPC273269
0.8416 Intermediate Similarity NPC163249
0.83 Intermediate Similarity NPC472729
0.83 Intermediate Similarity NPC472730
0.83 Intermediate Similarity NPC177680
0.83 Intermediate Similarity NPC153776
0.8265 Intermediate Similarity NPC293086
0.8265 Intermediate Similarity NPC212812
0.8224 Intermediate Similarity NPC193948
0.8218 Intermediate Similarity NPC472728
0.8218 Intermediate Similarity NPC472727
0.8218 Intermediate Similarity NPC474802
0.8155 Intermediate Similarity NPC275583
0.8148 Intermediate Similarity NPC474271
0.8137 Intermediate Similarity NPC472702
0.8137 Intermediate Similarity NPC472685
0.8119 Intermediate Similarity NPC109059
0.8119 Intermediate Similarity NPC288
0.81 Intermediate Similarity NPC472733
0.81 Intermediate Similarity NPC165616
0.81 Intermediate Similarity NPC472734
0.81 Intermediate Similarity NPC269492
0.8085 Intermediate Similarity NPC251170
0.8081 Intermediate Similarity NPC103527
0.8073 Intermediate Similarity NPC247069
0.8061 Intermediate Similarity NPC248913
0.802 Intermediate Similarity NPC472732
0.802 Intermediate Similarity NPC472731
0.8 Intermediate Similarity NPC79573
0.8 Intermediate Similarity NPC280725
0.7981 Intermediate Similarity NPC320294
0.798 Intermediate Similarity NPC477436
0.798 Intermediate Similarity NPC477435
0.7963 Intermediate Similarity NPC34315
0.7963 Intermediate Similarity NPC146945
0.7963 Intermediate Similarity NPC171888
0.7961 Intermediate Similarity NPC470184
0.7961 Intermediate Similarity NPC115862
0.7959 Intermediate Similarity NPC134321
0.7959 Intermediate Similarity NPC128672
0.7944 Intermediate Similarity NPC220705
0.7941 Intermediate Similarity NPC316598
0.7921 Intermediate Similarity NPC223169
0.7921 Intermediate Similarity NPC472675
0.7921 Intermediate Similarity NPC272411
0.7921 Intermediate Similarity NPC21681
0.7917 Intermediate Similarity NPC94666
0.7905 Intermediate Similarity NPC213366
0.7905 Intermediate Similarity NPC40170
0.79 Intermediate Similarity NPC477439
0.7885 Intermediate Similarity NPC272472
0.7879 Intermediate Similarity NPC185936
0.7879 Intermediate Similarity NPC99380
0.7879 Intermediate Similarity NPC168027
0.7864 Intermediate Similarity NPC472972
0.7864 Intermediate Similarity NPC144956
0.785 Intermediate Similarity NPC168883
0.7843 Intermediate Similarity NPC477268
0.7843 Intermediate Similarity NPC477267
0.7843 Intermediate Similarity NPC471916
0.7843 Intermediate Similarity NPC472690
0.7843 Intermediate Similarity NPC226986
0.7843 Intermediate Similarity NPC18509
0.7843 Intermediate Similarity NPC472689
0.7843 Intermediate Similarity NPC27105
0.7835 Intermediate Similarity NPC298904
0.783 Intermediate Similarity NPC1679
0.7822 Intermediate Similarity NPC477438
0.7822 Intermediate Similarity NPC316215
0.7822 Intermediate Similarity NPC474602
0.7822 Intermediate Similarity NPC477437
0.7818 Intermediate Similarity NPC208998
0.7818 Intermediate Similarity NPC7921
0.781 Intermediate Similarity NPC131366
0.781 Intermediate Similarity NPC179208
0.7789 Intermediate Similarity NPC64600
0.7788 Intermediate Similarity NPC268958
0.7788 Intermediate Similarity NPC323441
0.7788 Intermediate Similarity NPC112613
0.7788 Intermediate Similarity NPC60947
0.7778 Intermediate Similarity NPC300026
0.7778 Intermediate Similarity NPC250018
0.7778 Intermediate Similarity NPC475823
0.7778 Intermediate Similarity NPC20192
0.7778 Intermediate Similarity NPC474209
0.7778 Intermediate Similarity NPC87335
0.7778 Intermediate Similarity NPC223093
0.7778 Intermediate Similarity NPC470615
0.7768 Intermediate Similarity NPC287343
0.7768 Intermediate Similarity NPC474654
0.7768 Intermediate Similarity NPC470854
0.7768 Intermediate Similarity NPC97908
0.7768 Intermediate Similarity NPC122033
0.7767 Intermediate Similarity NPC471331
0.7767 Intermediate Similarity NPC472687
0.7767 Intermediate Similarity NPC471330
0.7767 Intermediate Similarity NPC203388
0.7767 Intermediate Similarity NPC99657
0.7766 Intermediate Similarity NPC189237
0.7757 Intermediate Similarity NPC144854
0.7757 Intermediate Similarity NPC3316
0.7757 Intermediate Similarity NPC44063
0.7757 Intermediate Similarity NPC185
0.7745 Intermediate Similarity NPC192428
0.7745 Intermediate Similarity NPC94337
0.7736 Intermediate Similarity NPC118911
0.7736 Intermediate Similarity NPC284865
0.7736 Intermediate Similarity NPC325769
0.7732 Intermediate Similarity NPC203795
0.7727 Intermediate Similarity NPC205534
0.7723 Intermediate Similarity NPC258674
0.7723 Intermediate Similarity NPC196227
0.7723 Intermediate Similarity NPC23170
0.7714 Intermediate Similarity NPC478176
0.7714 Intermediate Similarity NPC80781
0.77 Intermediate Similarity NPC26865
0.77 Intermediate Similarity NPC327515
0.7699 Intermediate Similarity NPC17772
0.7699 Intermediate Similarity NPC251310
0.7692 Intermediate Similarity NPC112167
0.7692 Intermediate Similarity NPC117685
0.7685 Intermediate Similarity NPC154608
0.7685 Intermediate Similarity NPC192813
0.7685 Intermediate Similarity NPC277017
0.7679 Intermediate Similarity NPC207217
0.7679 Intermediate Similarity NPC270478
0.7677 Intermediate Similarity NPC475108
0.7677 Intermediate Similarity NPC472688
0.7677 Intermediate Similarity NPC472676
0.767 Intermediate Similarity NPC473161
0.767 Intermediate Similarity NPC473456
0.767 Intermediate Similarity NPC170131
0.767 Intermediate Similarity NPC23680
0.7664 Intermediate Similarity NPC472645
0.7664 Intermediate Similarity NPC292588
0.7664 Intermediate Similarity NPC471333
0.7664 Intermediate Similarity NPC478052
0.7664 Intermediate Similarity NPC181357
0.7664 Intermediate Similarity NPC471332
0.7658 Intermediate Similarity NPC326264
0.7658 Intermediate Similarity NPC198539
0.7658 Intermediate Similarity NPC477266
0.7653 Intermediate Similarity NPC38885
0.7653 Intermediate Similarity NPC472324
0.7647 Intermediate Similarity NPC134067
0.7647 Intermediate Similarity NPC473170
0.7647 Intermediate Similarity NPC476245
0.7647 Intermediate Similarity NPC272617
0.7642 Intermediate Similarity NPC194323
0.7642 Intermediate Similarity NPC90177
0.7636 Intermediate Similarity NPC474229
0.7632 Intermediate Similarity NPC470777
0.7629 Intermediate Similarity NPC6185
0.7629 Intermediate Similarity NPC241512
0.7624 Intermediate Similarity NPC59170
0.7624 Intermediate Similarity NPC474807
0.7619 Intermediate Similarity NPC81530
0.7619 Intermediate Similarity NPC472637
0.7619 Intermediate Similarity NPC207885
0.7615 Intermediate Similarity NPC2766
0.7609 Intermediate Similarity NPC78935
0.76 Intermediate Similarity NPC469464
0.76 Intermediate Similarity NPC263977
0.76 Intermediate Similarity NPC472325
0.76 Intermediate Similarity NPC113393
0.7596 Intermediate Similarity NPC147954
0.7579 Intermediate Similarity NPC44963
0.7579 Intermediate Similarity NPC14151
0.7579 Intermediate Similarity NPC472684
0.7576 Intermediate Similarity NPC328539
0.7576 Intermediate Similarity NPC185059
0.7576 Intermediate Similarity NPC158778
0.7576 Intermediate Similarity NPC471793
0.7576 Intermediate Similarity NPC475001
0.7576 Intermediate Similarity NPC58271
0.7576 Intermediate Similarity NPC307298
0.7576 Intermediate Similarity NPC471791
0.7573 Intermediate Similarity NPC471153
0.7573 Intermediate Similarity NPC62516
0.7573 Intermediate Similarity NPC157113
0.757 Intermediate Similarity NPC137657
0.7568 Intermediate Similarity NPC90769
0.7568 Intermediate Similarity NPC71348
0.7568 Intermediate Similarity NPC147180
0.7568 Intermediate Similarity NPC264634
0.7551 Intermediate Similarity NPC158393
0.7551 Intermediate Similarity NPC34190
0.7551 Intermediate Similarity NPC229717
0.7549 Intermediate Similarity NPC302008
0.7549 Intermediate Similarity NPC472977
0.7549 Intermediate Similarity NPC160413
0.7549 Intermediate Similarity NPC114162
0.7549 Intermediate Similarity NPC191094
0.7549 Intermediate Similarity NPC245972
0.7549 Intermediate Similarity NPC474328
0.7549 Intermediate Similarity NPC469819
0.7549 Intermediate Similarity NPC472976
0.7549 Intermediate Similarity NPC196485

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC46761 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
0.7864 Intermediate Similarity NPD5286 Approved
0.7864 Intermediate Similarity NPD5285 Approved
0.7864 Intermediate Similarity NPD4696 Approved
0.7843 Intermediate Similarity NPD4755 Approved
0.7788 Intermediate Similarity NPD5223 Approved
0.7757 Intermediate Similarity NPD5697 Approved
0.7745 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7745 Intermediate Similarity NPD4697 Phase 3
0.7745 Intermediate Similarity NPD5222 Approved
0.7745 Intermediate Similarity NPD5221 Approved
0.7714 Intermediate Similarity NPD5225 Approved
0.7714 Intermediate Similarity NPD4633 Approved
0.7714 Intermediate Similarity NPD5226 Approved
0.7714 Intermediate Similarity NPD5211 Phase 2
0.7714 Intermediate Similarity NPD5224 Approved
0.7692 Intermediate Similarity NPD4700 Approved
0.7685 Intermediate Similarity NPD6881 Approved
0.7685 Intermediate Similarity NPD6899 Approved
0.7685 Intermediate Similarity NPD6011 Approved
0.767 Intermediate Similarity NPD5173 Approved
0.7664 Intermediate Similarity NPD6675 Approved
0.7664 Intermediate Similarity NPD7128 Approved
0.7664 Intermediate Similarity NPD6402 Approved
0.7664 Intermediate Similarity NPD5739 Approved
0.7642 Intermediate Similarity NPD5174 Approved
0.7642 Intermediate Similarity NPD5175 Approved
0.7636 Intermediate Similarity NPD6649 Approved
0.7636 Intermediate Similarity NPD6650 Approved
0.7615 Intermediate Similarity NPD6372 Approved
0.7615 Intermediate Similarity NPD6012 Approved
0.7615 Intermediate Similarity NPD6013 Approved
0.7615 Intermediate Similarity NPD6014 Approved
0.7615 Intermediate Similarity NPD6373 Approved
0.7593 Intermediate Similarity NPD5701 Approved
0.757 Intermediate Similarity NPD5141 Approved
0.7551 Intermediate Similarity NPD3618 Phase 1
0.7549 Intermediate Similarity NPD5282 Discontinued
0.7545 Intermediate Similarity NPD4634 Approved
0.7545 Intermediate Similarity NPD7102 Approved
0.7545 Intermediate Similarity NPD7290 Approved
0.7545 Intermediate Similarity NPD6883 Approved
0.7525 Intermediate Similarity NPD6079 Approved
0.7523 Intermediate Similarity NPD7320 Approved
0.75 Intermediate Similarity NPD7902 Approved
0.75 Intermediate Similarity NPD5328 Approved
0.7477 Intermediate Similarity NPD6617 Approved
0.7477 Intermediate Similarity NPD6869 Approved
0.7477 Intermediate Similarity NPD6847 Approved
0.7477 Intermediate Similarity NPD4754 Approved
0.7477 Intermediate Similarity NPD8130 Phase 1
0.7476 Intermediate Similarity NPD5210 Approved
0.7476 Intermediate Similarity NPD4629 Approved
0.7474 Intermediate Similarity NPD4695 Discontinued
0.7429 Intermediate Similarity NPD5696 Approved
0.7411 Intermediate Similarity NPD8297 Approved
0.7411 Intermediate Similarity NPD6882 Approved
0.7379 Intermediate Similarity NPD7748 Approved
0.7374 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD4730 Approved
0.7364 Intermediate Similarity NPD4729 Approved
0.7339 Intermediate Similarity NPD4768 Approved
0.7339 Intermediate Similarity NPD4767 Approved
0.7321 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD3573 Approved
0.7282 Intermediate Similarity NPD4202 Approved
0.7282 Intermediate Similarity NPD6399 Phase 3
0.7265 Intermediate Similarity NPD6054 Approved
0.7265 Intermediate Similarity NPD6319 Approved
0.7232 Intermediate Similarity NPD5135 Approved
0.7232 Intermediate Similarity NPD5250 Approved
0.7232 Intermediate Similarity NPD5251 Approved
0.7232 Intermediate Similarity NPD5247 Approved
0.7232 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD5248 Approved
0.7232 Intermediate Similarity NPD5249 Phase 3
0.7232 Intermediate Similarity NPD5169 Approved
0.7212 Intermediate Similarity NPD7900 Approved
0.7212 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD5128 Approved
0.7207 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD6015 Approved
0.7203 Intermediate Similarity NPD6016 Approved
0.7193 Intermediate Similarity NPD4632 Approved
0.7184 Intermediate Similarity NPD7515 Phase 2
0.7182 Intermediate Similarity NPD6008 Approved
0.7168 Intermediate Similarity NPD5217 Approved
0.7168 Intermediate Similarity NPD5215 Approved
0.7168 Intermediate Similarity NPD5127 Approved
0.7168 Intermediate Similarity NPD5216 Approved
0.7157 Intermediate Similarity NPD4753 Phase 2
0.7155 Intermediate Similarity NPD6317 Approved
0.7143 Intermediate Similarity NPD5988 Approved
0.7143 Intermediate Similarity NPD6370 Approved
0.7143 Intermediate Similarity NPD3667 Approved
0.7119 Intermediate Similarity NPD6059 Approved
0.7094 Intermediate Similarity NPD6313 Approved
0.7094 Intermediate Similarity NPD6335 Approved
0.7094 Intermediate Similarity NPD6314 Approved
0.7069 Intermediate Similarity NPD6274 Approved
0.7059 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD5168 Approved
0.7034 Intermediate Similarity NPD7101 Approved
0.7034 Intermediate Similarity NPD7100 Approved
0.7025 Intermediate Similarity NPD7492 Approved
0.7019 Intermediate Similarity NPD6411 Approved
0.7009 Intermediate Similarity NPD6009 Approved
0.7009 Intermediate Similarity NPD6083 Phase 2
0.7009 Intermediate Similarity NPD6084 Phase 2
0.7009 Intermediate Similarity NPD7115 Discovery
0.7 Intermediate Similarity NPD4197 Approved
0.7 Intermediate Similarity NPD3665 Phase 1
0.7 Intermediate Similarity NPD3666 Approved
0.7 Intermediate Similarity NPD3133 Approved
0.7 Intermediate Similarity NPD4786 Approved
0.6983 Remote Similarity NPD5167 Approved
0.6981 Remote Similarity NPD5695 Phase 3
0.6967 Remote Similarity NPD6616 Approved
0.6944 Remote Similarity NPD4225 Approved
0.6942 Remote Similarity NPD8328 Phase 3
0.6931 Remote Similarity NPD5329 Approved
0.6923 Remote Similarity NPD6868 Approved
0.6917 Remote Similarity NPD5983 Phase 2
0.6911 Remote Similarity NPD7078 Approved
0.6907 Remote Similarity NPD3617 Approved
0.6893 Remote Similarity NPD5737 Approved
0.6893 Remote Similarity NPD6672 Approved
0.6863 Remote Similarity NPD5279 Phase 3
0.6863 Remote Similarity NPD5690 Phase 2
0.6855 Remote Similarity NPD7736 Approved
0.6832 Remote Similarity NPD3668 Phase 3
0.6827 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6827 Remote Similarity NPD6101 Approved
0.6827 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6822 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6803 Remote Similarity NPD7604 Phase 2
0.68 Remote Similarity NPD4223 Phase 3
0.68 Remote Similarity NPD4221 Approved
0.6777 Remote Similarity NPD6908 Approved
0.6777 Remote Similarity NPD6909 Approved
0.6774 Remote Similarity NPD8293 Discontinued
0.6768 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5091 Approved
0.672 Remote Similarity NPD6033 Approved
0.6699 Remote Similarity NPD4519 Discontinued
0.6699 Remote Similarity NPD6409 Approved
0.6699 Remote Similarity NPD7334 Approved
0.6699 Remote Similarity NPD7146 Approved
0.6699 Remote Similarity NPD4623 Approved
0.6699 Remote Similarity NPD4694 Approved
0.6699 Remote Similarity NPD5330 Approved
0.6699 Remote Similarity NPD6684 Approved
0.6699 Remote Similarity NPD5280 Approved
0.6699 Remote Similarity NPD7521 Approved
0.6698 Remote Similarity NPD5281 Approved
0.6698 Remote Similarity NPD8035 Phase 2
0.6698 Remote Similarity NPD5284 Approved
0.6698 Remote Similarity NPD8034 Phase 2
0.6694 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6673 Approved
0.6636 Remote Similarity NPD7638 Approved
0.6636 Remote Similarity NPD5778 Approved
0.6636 Remote Similarity NPD5779 Approved
0.6602 Remote Similarity NPD1694 Approved
0.66 Remote Similarity NPD7525 Registered
0.6583 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6577 Remote Similarity NPD7639 Approved
0.6577 Remote Similarity NPD7640 Approved
0.6571 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6903 Approved
0.6542 Remote Similarity NPD5693 Phase 1
0.6542 Remote Similarity NPD5694 Approved
0.6538 Remote Similarity NPD4688 Approved
0.6538 Remote Similarity NPD5205 Approved
0.6538 Remote Similarity NPD4693 Phase 3
0.6538 Remote Similarity NPD4689 Approved
0.6538 Remote Similarity NPD4690 Approved
0.6538 Remote Similarity NPD4138 Approved
0.6504 Remote Similarity NPD6921 Approved
0.6496 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6449 Remote Similarity NPD5692 Phase 3
0.6442 Remote Similarity NPD1696 Phase 3
0.6434 Remote Similarity NPD7260 Phase 2
0.6422 Remote Similarity NPD6001 Approved
0.641 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6408 Remote Similarity NPD4788 Approved
0.6389 Remote Similarity NPD6050 Approved
0.6381 Remote Similarity NPD6098 Approved
0.6379 Remote Similarity NPD6412 Phase 2
0.6379 Remote Similarity NPD6614 Approved
0.6373 Remote Similarity NPD5369 Approved
0.6341 Remote Similarity NPD4522 Approved
0.6337 Remote Similarity NPD7645 Phase 2
0.6337 Remote Similarity NPD4195 Approved
0.6306 Remote Similarity NPD7614 Phase 1
0.6296 Remote Similarity NPD5785 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL464575
ZINC  

Physicochemical Properties

Molecular Weight:  322.18
ALogP:  0.936
MLogP:  2.89
XLogP:  2.012
# Rotatable Bonds:  11
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  23

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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