Natural Product: NPC108581

Natural Product ID:  NPC108581
Common Name:   Nagilactone C
IUPAC Name:  
Synonyms:   Nagilactone C
Molecular Formula:   C19H22O7
Standard InCHIKey:  DGNOPGIIPQKNHD-RSKPZANQSA-N
Standard InCHI:  InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13-,14-,15+,16-,18-,19-/m1/s1
Canonical SMILES:  O=c1oc(C(C)C)c2c(c1)[C@@]1(C)[C@@H]3O[C@@H]3[C@@H]([C@]3([C@@H]1[C@@H]([C@@H]2O)OC3=O)C)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
NPO33703 Podocarpus nagi Species Podocarpaceae Eukaryota Seeds Aihua, Lincang, Yunnan Province, China 2103-OCT PMID[28719204]
NPO19046 Pyrenula pseudobufonia Species Pyrenulaceae Eukaryota UNPD*
NPO4298 Mycobacterium liflandii Species Mycobacteriaceae Bacteria UNPD*
NPO25003 Sorocea bonplandii Species Moraceae Eukaryota UNPD*
NPO14267 Seseli tortuosum Species Apiaceae Eukaryota UNPD*
NPO5573 Oxycoccus quadripetalus NA NA NA UNPD*
NPO17823 Lycium chinense Species Solanaceae Eukaryota UNPD*
NPO15589 Alcyonium digitatum Species Alcyoniidae Eukaryota UNPD*
NPO18509 Fissistigma oldhamii Species Annonaceae Eukaryota UNPD*
NPO18440 Blepharostoma trichophyllum Species Pseudolepicoleaceae Eukaryota UNPD*
NPO15008 Smilax bockii Species Staphylinidae Eukaryota UNPD*
NPO32568 ileostylus micranthus Species Loranthaceae Eukaryota PMID[1800635]
NPO28711 Artabotrys hexapetalus Species Annonaceae Eukaryota UNPD*
NPO7473 Spermatochnus paradoxus Species Chordariaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 = 0.33 ug/ml 1800635
NPT167 Organism Propionibacterium acnes Propionibacterium acnes MIC > 800 ug/ml 8158169
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC > 1600 ug/ml 8463795
NPT523 Organism Malassezia furfur Malassezia furfur MIC > 1600 ug/ml 8463795
NPT207 Protein Family MAP kinase p38 Homo sapiens Inhibition > 65 % 18157122
NPT179 Cell Line A2780 Homo sapiens IC50 = 7.1 ± 0.5 µM 28719204
NPT6521 Cell Line HEY Homo sapiens IC50 = 6.0 ± 1.0 µM 28719204

  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 NPC108581 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
1.0 High Similarity NPC478205
1.0 High Similarity NPC478206
0.9907 High Similarity NPC478204
0.963 High Similarity NPC475966
0.963 High Similarity NPC478212
0.9444 High Similarity NPC100329
0.9444 High Similarity NPC247031
0.9444 High Similarity NPC97939
0.9444 High Similarity NPC132790
0.9369 High Similarity NPC53396
0.9369 High Similarity NPC98249
0.9352 High Similarity NPC478209
0.9352 High Similarity NPC478211
0.9286 High Similarity NPC284707
0.9259 High Similarity NPC478210
0.9196 High Similarity NPC58662
0.9107 High Similarity NPC478216
0.9091 High Similarity NPC469655
0.9091 High Similarity NPC474846
0.9091 High Similarity NPC469656
0.9027 High Similarity NPC469684
0.8981 High Similarity NPC478208
0.886 High Similarity NPC13713
0.8727 High Similarity NPC180744
0.8673 High Similarity NPC269530
0.8632 High Similarity NPC268530
0.8632 High Similarity NPC154491
0.8583 High Similarity NPC477745
0.8583 High Similarity NPC293112
0.8559 High Similarity NPC4021
0.8559 High Similarity NPC159456
0.8512 High Similarity NPC476008
0.8512 High Similarity NPC478207
0.8509 High Similarity NPC472002
0.85 High Similarity NPC172154
0.85 High Similarity NPC81736
0.8475 Intermediate Similarity NPC251226
0.8475 Intermediate Similarity NPC475003
0.8468 Intermediate Similarity NPC469607
0.8421 Intermediate Similarity NPC188738
0.8417 Intermediate Similarity NPC67251
0.8417 Intermediate Similarity NPC11895
0.8417 Intermediate Similarity NPC469789
0.8407 Intermediate Similarity NPC469370
0.839 Intermediate Similarity NPC230513
0.839 Intermediate Similarity NPC42673
0.8362 Intermediate Similarity NPC117712
0.8348 Intermediate Similarity NPC42658
0.8348 Intermediate Similarity NPC222834
0.8347 Intermediate Similarity NPC24651
0.8347 Intermediate Similarity NPC476729
0.8347 Intermediate Similarity NPC8369
0.8333 Intermediate Similarity NPC253906
0.8333 Intermediate Similarity NPC312833
0.8333 Intermediate Similarity NPC170538
0.8288 Intermediate Similarity NPC159533
0.8279 Intermediate Similarity NPC203702
0.8279 Intermediate Similarity NPC120994
0.8279 Intermediate Similarity NPC473635
0.8276 Intermediate Similarity NPC477126
0.8264 Intermediate Similarity NPC105926
0.8264 Intermediate Similarity NPC265557
0.8264 Intermediate Similarity NPC91693
0.8264 Intermediate Similarity NPC18945
0.825 Intermediate Similarity NPC67569
0.8246 Intermediate Similarity NPC474243
0.8235 Intermediate Similarity NPC470186
0.823 Intermediate Similarity NPC230541
0.823 Intermediate Similarity NPC67321
0.823 Intermediate Similarity NPC187435
0.822 Intermediate Similarity NPC55296
0.822 Intermediate Similarity NPC176513
0.822 Intermediate Similarity NPC473968
0.822 Intermediate Similarity NPC470775
0.8214 Intermediate Similarity NPC296950
0.8214 Intermediate Similarity NPC283850
0.8214 Intermediate Similarity NPC146731
0.8205 Intermediate Similarity NPC284915
0.8205 Intermediate Similarity NPC73314
0.8198 Intermediate Similarity NPC31058
0.8198 Intermediate Similarity NPC273005
0.8198 Intermediate Similarity NPC469606
0.8198 Intermediate Similarity NPC295791
0.8197 Intermediate Similarity NPC469790
0.8182 Intermediate Similarity NPC269642
0.8182 Intermediate Similarity NPC23786
0.8182 Intermediate Similarity NPC470265
0.8167 Intermediate Similarity NPC478051
0.8158 Intermediate Similarity NPC50124
0.8158 Intermediate Similarity NPC37628
0.8151 Intermediate Similarity NPC240509
0.8151 Intermediate Similarity NPC251310
0.8151 Intermediate Similarity NPC470776
0.8142 Intermediate Similarity NPC102352
0.8142 Intermediate Similarity NPC81630
0.8142 Intermediate Similarity NPC34768
0.8136 Intermediate Similarity NPC207217
0.8136 Intermediate Similarity NPC179626
0.8125 Intermediate Similarity NPC99510
0.8125 Intermediate Similarity NPC72842
0.812 Intermediate Similarity NPC469463
0.812 Intermediate Similarity NPC469496
0.812 Intermediate Similarity NPC471204
0.812 Intermediate Similarity NPC25909
0.812 Intermediate Similarity NPC469454
0.8103 Intermediate Similarity NPC179798
0.8103 Intermediate Similarity NPC304180
0.8099 Intermediate Similarity NPC477046
0.8099 Intermediate Similarity NPC470779
0.8099 Intermediate Similarity NPC102822
0.8091 Intermediate Similarity NPC124512
0.8091 Intermediate Similarity NPC159763
0.8091 Intermediate Similarity NPC278386
0.8087 Intermediate Similarity NPC472534
0.8087 Intermediate Similarity NPC141350
0.8087 Intermediate Similarity NPC143706
0.8087 Intermediate Similarity NPC299590
0.8083 Intermediate Similarity NPC475041
0.8083 Intermediate Similarity NPC470777
0.807 Intermediate Similarity NPC3316
0.807 Intermediate Similarity NPC78966
0.807 Intermediate Similarity NPC302788
0.807 Intermediate Similarity NPC284732
0.807 Intermediate Similarity NPC144854
0.8067 Intermediate Similarity NPC477116
0.8067 Intermediate Similarity NPC473590
0.8067 Intermediate Similarity NPC470854
0.8067 Intermediate Similarity NPC474654
0.8067 Intermediate Similarity NPC97908
0.8067 Intermediate Similarity NPC287343
0.8067 Intermediate Similarity NPC27999
0.8067 Intermediate Similarity NPC476712
0.8067 Intermediate Similarity NPC122033
0.8067 Intermediate Similarity NPC476713
0.8049 Intermediate Similarity NPC470922
0.8034 Intermediate Similarity NPC473877
0.8034 Intermediate Similarity NPC476801
0.8018 Intermediate Similarity NPC47024
0.8017 Intermediate Similarity NPC475885
0.8017 Intermediate Similarity NPC5103
0.8017 Intermediate Similarity NPC112038
0.8017 Intermediate Similarity NPC235014
0.8017 Intermediate Similarity NPC210005
0.8017 Intermediate Similarity NPC472214
0.8017 Intermediate Similarity NPC472215
0.8 Intermediate Similarity NPC21326
0.8 Intermediate Similarity NPC189075
0.8 Intermediate Similarity NPC50774
0.8 Intermediate Similarity NPC154608
0.8 Intermediate Similarity NPC275539
0.8 Intermediate Similarity NPC277017
0.8 Intermediate Similarity NPC94377
0.8 Intermediate Similarity NPC17772
0.8 Intermediate Similarity NPC192813
0.8 Intermediate Similarity NPC709
0.8 Intermediate Similarity NPC306265
0.7984 Intermediate Similarity NPC159499
0.7984 Intermediate Similarity NPC198209
0.7984 Intermediate Similarity NPC225049
0.7983 Intermediate Similarity NPC476711
0.7983 Intermediate Similarity NPC477509
0.7983 Intermediate Similarity NPC474734
0.7983 Intermediate Similarity NPC476710
0.7966 Intermediate Similarity NPC94509
0.7966 Intermediate Similarity NPC51978
0.7966 Intermediate Similarity NPC49451
0.7966 Intermediate Similarity NPC56448
0.7966 Intermediate Similarity NPC474271
0.7966 Intermediate Similarity NPC264153
0.7953 Intermediate Similarity NPC476193
0.7949 Intermediate Similarity NPC317107
0.7946 Intermediate Similarity NPC308824
0.7937 Intermediate Similarity NPC473593
0.7934 Intermediate Similarity NPC473839
0.7934 Intermediate Similarity NPC77689
0.7934 Intermediate Similarity NPC156745
0.7934 Intermediate Similarity NPC236918
0.7934 Intermediate Similarity NPC473636
0.7934 Intermediate Similarity NPC268958
0.7934 Intermediate Similarity NPC476529
0.7934 Intermediate Similarity NPC211093
0.7934 Intermediate Similarity NPC475775
0.7931 Intermediate Similarity NPC42662
0.792 Intermediate Similarity NPC471940
0.7917 Intermediate Similarity NPC296822
0.7917 Intermediate Similarity NPC470493
0.7917 Intermediate Similarity NPC183580
0.7917 Intermediate Similarity NPC286528
0.7917 Intermediate Similarity NPC470492
0.7917 Intermediate Similarity NPC475809
0.7917 Intermediate Similarity NPC167606
0.7917 Intermediate Similarity NPC140055
0.7917 Intermediate Similarity NPC20302
0.7917 Intermediate Similarity NPC134430
0.7917 Intermediate Similarity NPC312824
0.7913 Intermediate Similarity NPC179380
0.7913 Intermediate Similarity NPC473165
0.7913 Intermediate Similarity NPC110496
0.7903 Intermediate Similarity NPC8374
0.7899 Intermediate Similarity NPC268238

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC108581 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
0.8091 Intermediate Similarity NPD4225 Approved
0.8087 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD7115 Discovery
0.7863 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD6686 Approved
0.7391 Intermediate Similarity NPD7639 Approved
0.7391 Intermediate Similarity NPD7640 Approved
0.7385 Intermediate Similarity NPD7319 Approved
0.7381 Intermediate Similarity NPD8513 Phase 3
0.7328 Intermediate Similarity NPD5344 Discontinued
0.7304 Intermediate Similarity NPD7638 Approved
0.7244 Intermediate Similarity NPD8515 Approved
0.7244 Intermediate Similarity NPD8517 Approved
0.7244 Intermediate Similarity NPD8516 Approved
0.7241 Intermediate Similarity NPD6648 Approved
0.7227 Intermediate Similarity NPD6008 Approved
0.7168 Intermediate Similarity NPD5778 Approved
0.7168 Intermediate Similarity NPD5779 Approved
0.7165 Intermediate Similarity NPD6319 Approved
0.7154 Intermediate Similarity NPD7507 Approved
0.7143 Intermediate Similarity NPD46 Approved
0.7143 Intermediate Similarity NPD6698 Approved
0.7131 Intermediate Similarity NPD6371 Approved
0.708 Intermediate Similarity NPD7983 Approved
0.7016 Intermediate Similarity NPD6053 Discontinued
0.7 Intermediate Similarity NPD8328 Phase 3
0.6977 Remote Similarity NPD6921 Approved
0.6977 Remote Similarity NPD7503 Approved
0.6975 Remote Similarity NPD7632 Discontinued
0.697 Remote Similarity NPD8074 Phase 3
0.696 Remote Similarity NPD4632 Approved
0.6947 Remote Similarity NPD7492 Approved
0.693 Remote Similarity NPD6411 Approved
0.693 Remote Similarity NPD7637 Suspended
0.6929 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6899 Remote Similarity NPD6059 Approved
0.6899 Remote Similarity NPD6054 Approved
0.6897 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6894 Remote Similarity NPD6616 Approved
0.6846 Remote Similarity NPD6015 Approved
0.6846 Remote Similarity NPD6016 Approved
0.6842 Remote Similarity NPD8293 Discontinued
0.6842 Remote Similarity NPD7838 Discovery
0.6842 Remote Similarity NPD7078 Approved
0.6822 Remote Similarity NPD7516 Approved
0.6803 Remote Similarity NPD6675 Approved
0.6803 Remote Similarity NPD6402 Approved
0.6803 Remote Similarity NPD7128 Approved
0.6803 Remote Similarity NPD5739 Approved
0.6794 Remote Similarity NPD5988 Approved
0.6794 Remote Similarity NPD6370 Approved
0.6791 Remote Similarity NPD7736 Approved
0.6774 Remote Similarity NPD6372 Approved
0.6774 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6373 Approved
0.6754 Remote Similarity NPD6101 Approved
0.6754 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6748 Remote Similarity NPD5701 Approved
0.6748 Remote Similarity NPD5697 Approved
0.6748 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6746 Remote Similarity NPD8297 Approved
0.6744 Remote Similarity NPD7327 Approved
0.6744 Remote Similarity NPD7328 Approved
0.672 Remote Similarity NPD4634 Approved
0.6694 Remote Similarity NPD7320 Approved
0.6694 Remote Similarity NPD6881 Approved
0.6694 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6009 Approved
0.6667 Remote Similarity NPD5282 Discontinued
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD6650 Approved
0.6642 Remote Similarity NPD7260 Phase 2
0.664 Remote Similarity NPD6013 Approved
0.664 Remote Similarity NPD6012 Approved
0.664 Remote Similarity NPD6014 Approved
0.6639 Remote Similarity NPD7902 Approved
0.6617 Remote Similarity NPD7604 Phase 2
0.6613 Remote Similarity NPD6412 Phase 2
0.6594 Remote Similarity NPD6845 Suspended
0.6591 Remote Similarity NPD8378 Approved
0.6591 Remote Similarity NPD8335 Approved
0.6591 Remote Similarity NPD5983 Phase 2
0.6591 Remote Similarity NPD8033 Approved
0.6591 Remote Similarity NPD8296 Approved
0.6591 Remote Similarity NPD8380 Approved
0.6591 Remote Similarity NPD8379 Approved
0.6587 Remote Similarity NPD7290 Approved
0.6587 Remote Similarity NPD6883 Approved
0.6587 Remote Similarity NPD7102 Approved
0.6581 Remote Similarity NPD6399 Phase 3
0.6579 Remote Similarity NPD7524 Approved
0.6577 Remote Similarity NPD4752 Clinical (unspecified phase)
0.656 Remote Similarity NPD6011 Approved
0.6557 Remote Similarity NPD5211 Phase 2
0.6549 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6549 Remote Similarity NPD1694 Approved
0.6535 Remote Similarity NPD6869 Approved
0.6535 Remote Similarity NPD6847 Approved
0.6535 Remote Similarity NPD8130 Phase 1
0.6535 Remote Similarity NPD6617 Approved
0.6525 Remote Similarity NPD7748 Approved
0.6515 Remote Similarity NPD8294 Approved
0.6515 Remote Similarity NPD8377 Approved
0.65 Remote Similarity NPD4755 Approved
0.6496 Remote Similarity NPD7515 Phase 2
0.6491 Remote Similarity NPD3618 Phase 1
0.6484 Remote Similarity NPD6882 Approved
0.6466 Remote Similarity NPD5328 Approved
0.6452 Remote Similarity NPD5141 Approved
0.6446 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6434 Remote Similarity NPD8133 Approved
0.6423 Remote Similarity NPD6033 Approved
0.6417 Remote Similarity NPD4697 Phase 3
0.641 Remote Similarity NPD5785 Approved
0.6406 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6397 Remote Similarity NPD6336 Discontinued
0.6393 Remote Similarity NPD4700 Approved
0.6393 Remote Similarity NPD4696 Approved
0.6393 Remote Similarity NPD5285 Approved
0.6393 Remote Similarity NPD5286 Approved
0.6387 Remote Similarity NPD7900 Approved
0.6387 Remote Similarity NPD7901 Clinical (unspecified phase)
0.637 Remote Similarity NPD7829 Approved
0.637 Remote Similarity NPD7830 Approved
0.6356 Remote Similarity NPD6079 Approved
0.6341 Remote Similarity NPD4159 Approved
0.6341 Remote Similarity NPD1700 Approved
0.6336 Remote Similarity NPD6274 Approved
0.6316 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6294 Remote Similarity NPD7966 Clinical (unspecified phase)
0.629 Remote Similarity NPD5225 Approved
0.629 Remote Similarity NPD5226 Approved
0.629 Remote Similarity NPD5224 Approved
0.629 Remote Similarity NPD4633 Approved
0.6281 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6281 Remote Similarity NPD5222 Approved
0.6281 Remote Similarity NPD5221 Approved
0.6281 Remote Similarity NPD7839 Suspended
0.624 Remote Similarity NPD5174 Approved
0.624 Remote Similarity NPD5175 Approved
0.623 Remote Similarity NPD5173 Approved
0.623 Remote Similarity NPD6084 Phase 2
0.623 Remote Similarity NPD6083 Phase 2
0.6228 Remote Similarity NPD6695 Phase 3
0.6222 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6218 Remote Similarity NPD8035 Phase 2
0.6218 Remote Similarity NPD8034 Phase 2
0.6213 Remote Similarity NPD8434 Phase 2
0.621 Remote Similarity NPD5223 Approved
0.6207 Remote Similarity NPD4249 Approved
0.6207 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6198 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6194 Remote Similarity NPD7100 Approved
0.6194 Remote Similarity NPD7101 Approved
0.6186 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6186 Remote Similarity NPD1695 Approved
0.6179 Remote Similarity NPD5696 Approved
0.6167 Remote Similarity NPD4202 Approved
0.6165 Remote Similarity NPD6317 Approved
0.6154 Remote Similarity NPD4250 Approved
0.6154 Remote Similarity NPD4251 Approved
0.6154 Remote Similarity NPD3573 Approved
0.6142 Remote Similarity NPD4768 Approved
0.6142 Remote Similarity NPD4767 Approved
0.614 Remote Similarity NPD3667 Approved
0.6131 Remote Similarity NPD7642 Approved
0.6131 Remote Similarity NPD6067 Discontinued
0.6119 Remote Similarity NPD6314 Approved
0.6119 Remote Similarity NPD6335 Approved
0.6119 Remote Similarity NPD6313 Approved
0.6111 Remote Similarity NPD4754 Approved
0.6103 Remote Similarity NPD6908 Approved
0.6103 Remote Similarity NPD6909 Approved
0.609 Remote Similarity NPD6868 Approved
0.6087 Remote Similarity NPD6110 Phase 1
0.6087 Remote Similarity NPD7154 Phase 3
0.6083 Remote Similarity NPD5284 Approved
0.6083 Remote Similarity NPD5281 Approved
0.6078 Remote Similarity NPD2532 Approved
0.6078 Remote Similarity NPD2534 Approved
0.6078 Remote Similarity NPD2533 Approved
0.6076 Remote Similarity NPD5761 Phase 2
0.6076 Remote Similarity NPD5760 Phase 2
0.6068 Remote Similarity NPD5330 Approved
0.6068 Remote Similarity NPD5786 Approved
0.6068 Remote Similarity NPD7521 Approved
0.6068 Remote Similarity NPD7146 Approved
0.6068 Remote Similarity NPD5279 Phase 3
0.6068 Remote Similarity NPD6684 Approved
0.6068 Remote Similarity NPD7334 Approved
0.6068 Remote Similarity NPD6409 Approved
0.6066 Remote Similarity NPD5695 Phase 3
0.6047 Remote Similarity NPD4729 Approved
0.6047 Remote Similarity NPD4730 Approved
0.6047 Remote Similarity NPD5128 Approved
0.6043 Remote Similarity NPD8451 Approved
0.6043 Remote Similarity NPD8273 Phase 1

Structure

External Identifiers

PubChem CID   72505
ChEMBL   CHEMBL487996
ZINC  

Physicochemical Properties

Molecular Weight:  362.14
ALogP:  -0.5316
MLogP:  2.78
XLogP:  -0.898
# Rotatable Bonds:  7
Polar Surface Area:  105.59
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  26

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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