Natural Product: NPC174342

Natural Product ID:  NPC174342
Common Name:   Wightionolide
IUPAC Name:   4-[2-[(1R,2S,4aS,8aS)-2,5,5-tris(hydroxymethyl)-8a-methyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
Synonyms:  
Molecular Formula:   C20H32O5
Standard InCHIKey:  ISJXTDPNEXILTC-VXNCWWDNSA-N
Standard InCHI:  InChI=1S/C20H32O5/c1-19-8-2-9-20(12-22,13-23)17(19)6-4-15(11-21)16(19)5-3-14-7-10-25-18(14)24/h7,15-17,21-23H,2-6,8-13H2,1H3/t15-,16-,17+,19+/m1/s1
Canonical SMILES:  OC[C@H]1CC[C@H]2[C@@]([C@@H]1CCC1=CCOC1=O)(C)CCCC2(CO)CO
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
NPO17665 Aria tomentosa Species Rosaceae Eukaryota UNPD*
NPO18879 Drosera auriculata Species Droseraceae Eukaryota UNPD*
NPO20300 Trapa maeotica Species Lythraceae Eukaryota UNPD*
NPO19661 Nectria cinnabarina Species Nectriaceae Eukaryota UNPD*
NPO18552 Cucumaria conicospermium Species Cucumariidae Eukaryota UNPD*
NPO19471 Ascobulla ulla Species NA Eukaryota UNPD*
NPO4008 Blaps lethifera Species Tenebrionidae Eukaryota UNPD*
NPO17551 Phytolacca americana Species Phytolaccaceae Eukaryota UNPD*
NPO17278 Mitragyna parvifolia Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = -14.03 % 10.1016/S0367-326X(99)00033-7
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = -4.1 % 10.1016/S0367-326X(99)00033-7
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = 18.42 % 10.1016/S0367-326X(99)00033-7
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = -11.72 % 10.1016/S0367-326X(99)00033-7
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = -52.79 % 10.1016/S0367-326X(99)00033-7
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = 7.15 % 10.1016/S0367-326X(99)00033-7

  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 NPC174342 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
0.9518 High Similarity NPC65661
0.9518 High Similarity NPC86316
0.9518 High Similarity NPC106416
0.9302 High Similarity NPC5509
0.9205 High Similarity NPC139692
0.9195 High Similarity NPC51486
0.9157 High Similarity NPC200513
0.9091 High Similarity NPC477783
0.9091 High Similarity NPC177037
0.9091 High Similarity NPC472814
0.9036 High Similarity NPC229584
0.9036 High Similarity NPC14203
0.9036 High Similarity NPC40228
0.8989 High Similarity NPC115021
0.8977 High Similarity NPC477782
0.8901 High Similarity NPC242848
0.8901 High Similarity NPC234993
0.8901 High Similarity NPC134072
0.8864 High Similarity NPC251528
0.8864 High Similarity NPC168131
0.8837 High Similarity NPC189311
0.8837 High Similarity NPC30984
0.8804 High Similarity NPC475709
0.8791 High Similarity NPC293052
0.8791 High Similarity NPC209355
0.8737 High Similarity NPC112009
0.8723 High Similarity NPC471412
0.8696 High Similarity NPC29952
0.8667 High Similarity NPC470113
0.8636 High Similarity NPC312561
0.8632 High Similarity NPC476081
0.8617 High Similarity NPC476299
0.8617 High Similarity NPC474012
0.8617 High Similarity NPC201406
0.8617 High Similarity NPC471413
0.8617 High Similarity NPC477720
0.8605 High Similarity NPC311070
0.8571 High Similarity NPC472303
0.8571 High Similarity NPC472871
0.8556 High Similarity NPC281942
0.8556 High Similarity NPC78973
0.8556 High Similarity NPC232426
0.8542 High Similarity NPC180204
0.8542 High Similarity NPC120321
0.8539 High Similarity NPC472870
0.8539 High Similarity NPC226863
0.8539 High Similarity NPC104560
0.8526 High Similarity NPC63249
0.8523 High Similarity NPC131813
0.8511 High Similarity NPC57079
0.8511 High Similarity NPC108368
0.8511 High Similarity NPC98868
0.8506 High Similarity NPC19849
0.8506 High Similarity NPC472864
0.8478 Intermediate Similarity NPC476415
0.8462 Intermediate Similarity NPC72845
0.8462 Intermediate Similarity NPC476187
0.8462 Intermediate Similarity NPC141831
0.8462 Intermediate Similarity NPC289479
0.8452 Intermediate Similarity NPC198240
0.8452 Intermediate Similarity NPC239098
0.8444 Intermediate Similarity NPC66344
0.8438 Intermediate Similarity NPC32577
0.8438 Intermediate Similarity NPC114540
0.8438 Intermediate Similarity NPC155332
0.8438 Intermediate Similarity NPC162973
0.8438 Intermediate Similarity NPC134077
0.8421 Intermediate Similarity NPC476767
0.8421 Intermediate Similarity NPC117685
0.8404 Intermediate Similarity NPC253826
0.8404 Intermediate Similarity NPC208094
0.8404 Intermediate Similarity NPC53844
0.8404 Intermediate Similarity NPC474343
0.8391 Intermediate Similarity NPC22611
0.8391 Intermediate Similarity NPC97913
0.8391 Intermediate Similarity NPC42476
0.8387 Intermediate Similarity NPC295347
0.8387 Intermediate Similarity NPC183012
0.837 Intermediate Similarity NPC162615
0.837 Intermediate Similarity NPC151722
0.837 Intermediate Similarity NPC166346
0.837 Intermediate Similarity NPC205034
0.837 Intermediate Similarity NPC152778
0.8367 Intermediate Similarity NPC266570
0.8367 Intermediate Similarity NPC34768
0.8353 Intermediate Similarity NPC327674
0.8352 Intermediate Similarity NPC159748
0.8352 Intermediate Similarity NPC476369
0.8352 Intermediate Similarity NPC476437
0.8352 Intermediate Similarity NPC472866
0.8352 Intermediate Similarity NPC101651
0.8351 Intermediate Similarity NPC476889
0.8333 Intermediate Similarity NPC472302
0.8333 Intermediate Similarity NPC472809
0.8333 Intermediate Similarity NPC303559
0.8333 Intermediate Similarity NPC61952
0.8333 Intermediate Similarity NPC472810
0.8333 Intermediate Similarity NPC316500
0.8316 Intermediate Similarity NPC316598
0.8315 Intermediate Similarity NPC186975
0.8315 Intermediate Similarity NPC474062
0.8315 Intermediate Similarity NPC472869
0.8298 Intermediate Similarity NPC470801
0.8298 Intermediate Similarity NPC325960
0.8298 Intermediate Similarity NPC319692
0.8298 Intermediate Similarity NPC16967
0.8295 Intermediate Similarity NPC164577
0.8295 Intermediate Similarity NPC248758
0.8295 Intermediate Similarity NPC149869
0.8295 Intermediate Similarity NPC472865
0.8283 Intermediate Similarity NPC187435
0.8283 Intermediate Similarity NPC179380
0.8283 Intermediate Similarity NPC67321
0.828 Intermediate Similarity NPC474554
0.828 Intermediate Similarity NPC469697
0.8261 Intermediate Similarity NPC474018
0.8261 Intermediate Similarity NPC303697
0.8261 Intermediate Similarity NPC179517
0.8261 Intermediate Similarity NPC473986
0.8261 Intermediate Similarity NPC165904
0.8247 Intermediate Similarity NPC40918
0.8247 Intermediate Similarity NPC476769
0.8247 Intermediate Similarity NPC476890
0.8242 Intermediate Similarity NPC470734
0.8242 Intermediate Similarity NPC50488
0.8242 Intermediate Similarity NPC474396
0.8235 Intermediate Similarity NPC59436
0.8229 Intermediate Similarity NPC47024
0.8229 Intermediate Similarity NPC54705
0.8222 Intermediate Similarity NPC171722
0.8222 Intermediate Similarity NPC236618
0.8211 Intermediate Similarity NPC175351
0.8211 Intermediate Similarity NPC156546
0.8211 Intermediate Similarity NPC73911
0.8211 Intermediate Similarity NPC121402
0.8211 Intermediate Similarity NPC132753
0.8211 Intermediate Similarity NPC224356
0.8211 Intermediate Similarity NPC151681
0.8211 Intermediate Similarity NPC476253
0.8202 Intermediate Similarity NPC473251
0.8202 Intermediate Similarity NPC42586
0.8202 Intermediate Similarity NPC283733
0.8202 Intermediate Similarity NPC329738
0.82 Intermediate Similarity NPC306265
0.82 Intermediate Similarity NPC392
0.82 Intermediate Similarity NPC177524
0.82 Intermediate Similarity NPC219900
0.8191 Intermediate Similarity NPC476174
0.8191 Intermediate Similarity NPC33473
0.8191 Intermediate Similarity NPC276110
0.8182 Intermediate Similarity NPC215893
0.8182 Intermediate Similarity NPC477124
0.8182 Intermediate Similarity NPC193198
0.8172 Intermediate Similarity NPC476416
0.8172 Intermediate Similarity NPC169343
0.8172 Intermediate Similarity NPC475657
0.8163 Intermediate Similarity NPC476237
0.8161 Intermediate Similarity NPC90055
0.8161 Intermediate Similarity NPC278459
0.8161 Intermediate Similarity NPC327002
0.8152 Intermediate Similarity NPC182136
0.8152 Intermediate Similarity NPC8062
0.8152 Intermediate Similarity NPC198818
0.8152 Intermediate Similarity NPC310479
0.8144 Intermediate Similarity NPC476888
0.8144 Intermediate Similarity NPC93744
0.8144 Intermediate Similarity NPC115899
0.8144 Intermediate Similarity NPC471075
0.8132 Intermediate Similarity NPC474629
0.8132 Intermediate Similarity NPC117122
0.8132 Intermediate Similarity NPC24816
0.8125 Intermediate Similarity NPC23364
0.8125 Intermediate Similarity NPC478056
0.8119 Intermediate Similarity NPC476759
0.8111 Intermediate Similarity NPC185638
0.8111 Intermediate Similarity NPC220478
0.8111 Intermediate Similarity NPC322159
0.8105 Intermediate Similarity NPC472363
0.8105 Intermediate Similarity NPC154526
0.8105 Intermediate Similarity NPC17578
0.8105 Intermediate Similarity NPC202833
0.8105 Intermediate Similarity NPC471039
0.8105 Intermediate Similarity NPC162346
0.8105 Intermediate Similarity NPC240673
0.8105 Intermediate Similarity NPC472362
0.8105 Intermediate Similarity NPC29152
0.8105 Intermediate Similarity NPC301534
0.8105 Intermediate Similarity NPC250757
0.81 Intermediate Similarity NPC302788
0.81 Intermediate Similarity NPC91034
0.81 Intermediate Similarity NPC475294
0.809 Intermediate Similarity NPC475100
0.809 Intermediate Similarity NPC194937
0.809 Intermediate Similarity NPC30486
0.809 Intermediate Similarity NPC318515
0.809 Intermediate Similarity NPC476038
0.809 Intermediate Similarity NPC31086
0.809 Intermediate Similarity NPC71626
0.8085 Intermediate Similarity NPC191521
0.8085 Intermediate Similarity NPC57117

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC174342 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
0.9157 High Similarity NPD4752 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD6686 Approved
0.8125 Intermediate Similarity NPD7638 Approved
0.8041 Intermediate Similarity NPD7640 Approved
0.8041 Intermediate Similarity NPD7639 Approved
0.8021 Intermediate Similarity NPD6084 Phase 2
0.8021 Intermediate Similarity NPD6083 Phase 2
0.7938 Intermediate Similarity NPD4225 Approved
0.7742 Intermediate Similarity NPD6672 Approved
0.7742 Intermediate Similarity NPD5737 Approved
0.7717 Intermediate Similarity NPD7146 Approved
0.7717 Intermediate Similarity NPD6409 Approved
0.7717 Intermediate Similarity NPD6684 Approved
0.7717 Intermediate Similarity NPD5330 Approved
0.7717 Intermediate Similarity NPD7521 Approved
0.7717 Intermediate Similarity NPD7334 Approved
0.7708 Intermediate Similarity NPD7748 Approved
0.7684 Intermediate Similarity NPD7515 Phase 2
0.7629 Intermediate Similarity NPD5695 Phase 3
0.7609 Intermediate Similarity NPD1694 Approved
0.7604 Intermediate Similarity NPD6399 Phase 3
0.7593 Intermediate Similarity NPD7115 Discovery
0.7576 Intermediate Similarity NPD5696 Approved
0.7553 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7553 Intermediate Similarity NPD6903 Approved
0.75 Intermediate Similarity NPD3665 Phase 1
0.75 Intermediate Similarity NPD3133 Approved
0.75 Intermediate Similarity NPD5693 Phase 1
0.75 Intermediate Similarity NPD3666 Approved
0.75 Intermediate Similarity NPD6899 Approved
0.75 Intermediate Similarity NPD6881 Approved
0.7476 Intermediate Similarity NPD5739 Approved
0.7476 Intermediate Similarity NPD6675 Approved
0.7476 Intermediate Similarity NPD7128 Approved
0.7476 Intermediate Similarity NPD6402 Approved
0.7475 Intermediate Similarity NPD7902 Approved
0.7474 Intermediate Similarity NPD4753 Phase 2
0.7429 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7404 Intermediate Similarity NPD5697 Approved
0.7396 Intermediate Similarity NPD5785 Approved
0.7358 Intermediate Similarity NPD6883 Approved
0.7358 Intermediate Similarity NPD7102 Approved
0.7358 Intermediate Similarity NPD7290 Approved
0.7353 Intermediate Similarity NPD7632 Discontinued
0.734 Intermediate Similarity NPD3618 Phase 1
0.7333 Intermediate Similarity NPD7320 Approved
0.732 Intermediate Similarity NPD6079 Approved
0.7312 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD4786 Approved
0.7292 Intermediate Similarity NPD6904 Approved
0.7292 Intermediate Similarity NPD6673 Approved
0.7292 Intermediate Similarity NPD5328 Approved
0.7292 Intermediate Similarity NPD6080 Approved
0.729 Intermediate Similarity NPD6869 Approved
0.729 Intermediate Similarity NPD6650 Approved
0.729 Intermediate Similarity NPD6617 Approved
0.729 Intermediate Similarity NPD6649 Approved
0.729 Intermediate Similarity NPD6847 Approved
0.729 Intermediate Similarity NPD8130 Phase 1
0.7283 Intermediate Similarity NPD3667 Approved
0.7273 Intermediate Similarity NPD5210 Approved
0.7273 Intermediate Similarity NPD4629 Approved
0.7273 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD8039 Approved
0.7264 Intermediate Similarity NPD6012 Approved
0.7264 Intermediate Similarity NPD6014 Approved
0.7264 Intermediate Similarity NPD6372 Approved
0.7264 Intermediate Similarity NPD6373 Approved
0.7264 Intermediate Similarity NPD6013 Approved
0.7253 Intermediate Similarity NPD4695 Discontinued
0.7238 Intermediate Similarity NPD5701 Approved
0.7222 Intermediate Similarity NPD8297 Approved
0.7222 Intermediate Similarity NPD6882 Approved
0.7216 Intermediate Similarity NPD6698 Approved
0.7216 Intermediate Similarity NPD46 Approved
0.7196 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD7900 Approved
0.717 Intermediate Similarity NPD6011 Approved
0.7158 Intermediate Similarity NPD4623 Approved
0.7158 Intermediate Similarity NPD4519 Discontinued
0.7143 Intermediate Similarity NPD7637 Suspended
0.7143 Intermediate Similarity NPD6411 Approved
0.7113 Intermediate Similarity NPD6051 Approved
0.7113 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4221 Approved
0.7097 Intermediate Similarity NPD4223 Phase 3
0.7083 Intermediate Similarity NPD3573 Approved
0.7075 Intermediate Similarity NPD6412 Phase 2
0.7071 Intermediate Similarity NPD5778 Approved
0.7071 Intermediate Similarity NPD5779 Approved
0.7069 Intermediate Similarity NPD7507 Approved
0.7064 Intermediate Similarity NPD6053 Discontinued
0.7053 Intermediate Similarity NPD5329 Approved
0.7053 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5221 Approved
0.703 Intermediate Similarity NPD5222 Approved
0.7021 Intermediate Similarity NPD7154 Phase 3
0.7021 Intermediate Similarity NPD4788 Approved
0.7019 Intermediate Similarity NPD5211 Phase 2
0.701 Intermediate Similarity NPD5208 Approved
0.699 Remote Similarity NPD5286 Approved
0.699 Remote Similarity NPD6404 Discontinued
0.699 Remote Similarity NPD5285 Approved
0.699 Remote Similarity NPD4696 Approved
0.6979 Remote Similarity NPD6098 Approved
0.6979 Remote Similarity NPD5279 Phase 3
0.6979 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6972 Remote Similarity NPD6401 Clinical (unspecified phase)
0.697 Remote Similarity NPD5281 Approved
0.697 Remote Similarity NPD8034 Phase 2
0.697 Remote Similarity NPD8035 Phase 2
0.697 Remote Similarity NPD5284 Approved
0.697 Remote Similarity NPD6050 Approved
0.6961 Remote Similarity NPD4755 Approved
0.6961 Remote Similarity NPD5173 Approved
0.6947 Remote Similarity NPD4197 Approved
0.6939 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6101 Approved
0.6916 Remote Similarity NPD5954 Clinical (unspecified phase)
0.69 Remote Similarity NPD4202 Approved
0.6891 Remote Similarity NPD7319 Approved
0.6887 Remote Similarity NPD5141 Approved
0.6881 Remote Similarity NPD6371 Approved
0.6875 Remote Similarity NPD6274 Approved
0.6875 Remote Similarity NPD6868 Approved
0.6875 Remote Similarity NPD5363 Approved
0.6869 Remote Similarity NPD5692 Phase 3
0.6863 Remote Similarity NPD4697 Phase 3
0.6863 Remote Similarity NPD7614 Phase 1
0.6857 Remote Similarity NPD4633 Approved
0.6857 Remote Similarity NPD5226 Approved
0.6857 Remote Similarity NPD5225 Approved
0.6857 Remote Similarity NPD5224 Approved
0.6848 Remote Similarity NPD3617 Approved
0.6842 Remote Similarity NPD7100 Approved
0.6842 Remote Similarity NPD7101 Approved
0.6842 Remote Similarity NPD5362 Discontinued
0.6827 Remote Similarity NPD4700 Approved
0.6804 Remote Similarity NPD4138 Approved
0.6804 Remote Similarity NPD5205 Approved
0.6804 Remote Similarity NPD4688 Approved
0.6804 Remote Similarity NPD5690 Phase 2
0.6804 Remote Similarity NPD4689 Approved
0.6804 Remote Similarity NPD4690 Approved
0.6804 Remote Similarity NPD4693 Phase 3
0.68 Remote Similarity NPD5694 Approved
0.6792 Remote Similarity NPD5174 Approved
0.6792 Remote Similarity NPD5175 Approved
0.6771 Remote Similarity NPD3668 Phase 3
0.6762 Remote Similarity NPD5223 Approved
0.6754 Remote Similarity NPD7327 Approved
0.6754 Remote Similarity NPD7328 Approved
0.6754 Remote Similarity NPD6335 Approved
0.6737 Remote Similarity NPD6435 Approved
0.6737 Remote Similarity NPD5209 Approved
0.6702 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6082 Clinical (unspecified phase)
0.67 Remote Similarity NPD5207 Approved
0.67 Remote Similarity NPD7838 Discovery
0.6699 Remote Similarity NPD7732 Phase 3
0.6696 Remote Similarity NPD4632 Approved
0.6696 Remote Similarity NPD7516 Approved
0.6667 Remote Similarity NPD6317 Approved
0.6667 Remote Similarity NPD6695 Phase 3
0.6667 Remote Similarity NPD6001 Approved
0.6638 Remote Similarity NPD8377 Approved
0.6638 Remote Similarity NPD8294 Approved
0.6638 Remote Similarity NPD6319 Approved
0.6633 Remote Similarity NPD5280 Approved
0.6633 Remote Similarity NPD4694 Approved
0.6629 Remote Similarity NPD4691 Approved
0.6609 Remote Similarity NPD6313 Approved
0.6609 Remote Similarity NPD6314 Approved
0.6606 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6604 Remote Similarity NPD5344 Discontinued
0.6598 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6596 Remote Similarity NPD4195 Approved
0.6596 Remote Similarity NPD7645 Phase 2
0.6581 Remote Similarity NPD8033 Approved
0.6581 Remote Similarity NPD8379 Approved
0.6581 Remote Similarity NPD8335 Approved
0.6581 Remote Similarity NPD7503 Approved
0.6581 Remote Similarity NPD6908 Approved
0.6581 Remote Similarity NPD6909 Approved
0.6581 Remote Similarity NPD8378 Approved
0.6581 Remote Similarity NPD8296 Approved
0.6581 Remote Similarity NPD8380 Approved
0.6562 Remote Similarity NPD4269 Approved
0.6562 Remote Similarity NPD4270 Approved
0.6555 Remote Similarity NPD7492 Approved
0.6549 Remote Similarity NPD8133 Approved
0.6545 Remote Similarity NPD4729 Approved
0.6545 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6545 Remote Similarity NPD5128 Approved
0.6545 Remote Similarity NPD4730 Approved
0.6526 Remote Similarity NPD4821 Approved

Structure

External Identifiers

PubChem CID   76326826
ChEMBL   CHEMBL2269920
ZINC  

Physicochemical Properties

Molecular Weight:  352.22
ALogP:  -1.0563
MLogP:  3.11
XLogP:  2.713
# Rotatable Bonds:  10
Polar Surface Area:  86.99
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  25

Download Data

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