Natural Product: NPC302360

Natural Product ID:  NPC302360
Common Name:   Carneic Acid B
IUPAC Name:   (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
Synonyms:   Carneic acid B
Molecular Formula:   C21H30O4
Standard InCHIKey:  YGIXVFNOSSPFLR-RYAGCBDWSA-N
Standard InCHI:  InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1
Canonical SMILES:  OC/C=C(/[C@H]1C(=C[C@@H]2[C@@H]([C@H]1/C=C/C=C/C(=O)O)[C@H](C)CC[C@H]2O)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
NPO23262 Lonicera xylosteum Species Caprifoliaceae Eukaryota UNPD*
NPO23528 Senecio swaziensis Species Asteraceae Eukaryota UNPD*
NPO3596 Podocarpus milanjianus Species Podocarpaceae Eukaryota UNPD*
NPO25413 Polyporus benzoinus Species Polyporaceae Eukaryota UNPD*
NPO17651 Bridelia retusa Species Phyllanthaceae Eukaryota UNPD*
NPO28797 Hypoxylon carneum Species Xylariaceae Eukaryota PMID[16933875]
NPO9463 Eschenbachia blinii Species Asteraceae Eukaryota UNPD*
NPO23823 Tessaria fastigiata Species Asteraceae Eukaryota UNPD*
NPO25781 Cassinia uncata Species Asteraceae Eukaryota UNPD*
NPO25288 Planchonia careya Species Lecythidaceae Eukaryota UNPD*
NPO25562 Cephaelis correae Species Rubiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 50 ug/ml 16933875
NPT3480 Organism Yarrowia lipolytica Yarrowia lipolytica MIC = 25 ug/ml 16933875
NPT3481 Organism Mucor hiemalis Mucor hiemalis MIC = 12.5 ug/ml 16933875
NPT3482 Organism Penicillium griseofulvum Penicillium griseofulvum MIC = 25 ug/ml 16933875
NPT3483 Organism Stachybotrys chartarum Stachybotrys chartarum MIC = 25 ug/ml 16933875
NPT3484 Organism Hypocrea lixii Hypocrea lixii MIC = 50 ug/ml 16933875

  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 NPC302360 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
0.9872 High Similarity NPC57370
0.9512 High Similarity NPC7280
0.9512 High Similarity NPC229612
0.9383 High Similarity NPC109528
0.925 High Similarity NPC224455
0.8902 High Similarity NPC79945
0.8721 High Similarity NPC314727
0.8667 High Similarity NPC99726
0.8659 High Similarity NPC159148
0.8636 High Similarity NPC214697
0.8554 High Similarity NPC2524
0.8554 High Similarity NPC256112
0.8537 High Similarity NPC281880
0.8523 High Similarity NPC212948
0.8462 Intermediate Similarity NPC141401
0.8427 Intermediate Similarity NPC205034
0.8427 Intermediate Similarity NPC152778
0.8427 Intermediate Similarity NPC162615
0.8409 Intermediate Similarity NPC182136
0.8409 Intermediate Similarity NPC310479
0.8372 Intermediate Similarity NPC475069
0.8372 Intermediate Similarity NPC175145
0.8372 Intermediate Similarity NPC473226
0.8352 Intermediate Similarity NPC473153
0.8352 Intermediate Similarity NPC250757
0.8352 Intermediate Similarity NPC190713
0.8352 Intermediate Similarity NPC301534
0.8333 Intermediate Similarity NPC279410
0.8333 Intermediate Similarity NPC119562
0.8333 Intermediate Similarity NPC191521
0.8295 Intermediate Similarity NPC16265
0.8295 Intermediate Similarity NPC262858
0.8295 Intermediate Similarity NPC146554
0.8295 Intermediate Similarity NPC118011
0.8295 Intermediate Similarity NPC36668
0.8295 Intermediate Similarity NPC472240
0.8235 Intermediate Similarity NPC476927
0.8214 Intermediate Similarity NPC170303
0.8202 Intermediate Similarity NPC221111
0.8202 Intermediate Similarity NPC280149
0.8202 Intermediate Similarity NPC78973
0.8182 Intermediate Similarity NPC104560
0.8182 Intermediate Similarity NPC473229
0.8161 Intermediate Similarity NPC82979
0.8152 Intermediate Similarity NPC16967
0.8132 Intermediate Similarity NPC470255
0.8132 Intermediate Similarity NPC476186
0.8125 Intermediate Similarity NPC265485
0.8125 Intermediate Similarity NPC220939
0.8095 Intermediate Similarity NPC271104
0.8085 Intermediate Similarity NPC266955
0.8072 Intermediate Similarity NPC172066
0.8068 Intermediate Similarity NPC245004
0.8049 Intermediate Similarity NPC265588
0.8046 Intermediate Similarity NPC35933
0.8023 Intermediate Similarity NPC52108
0.8023 Intermediate Similarity NPC474789
0.8022 Intermediate Similarity NPC476304
0.8022 Intermediate Similarity NPC38232
0.8 Intermediate Similarity NPC6663
0.8 Intermediate Similarity NPC115899
0.8 Intermediate Similarity NPC142163
0.8 Intermediate Similarity NPC473420
0.8 Intermediate Similarity NPC23954
0.8 Intermediate Similarity NPC282524
0.7979 Intermediate Similarity NPC478056
0.7979 Intermediate Similarity NPC108368
0.7979 Intermediate Similarity NPC57079
0.7979 Intermediate Similarity NPC474440
0.7979 Intermediate Similarity NPC92275
0.7955 Intermediate Similarity NPC131813
0.7952 Intermediate Similarity NPC91594
0.7952 Intermediate Similarity NPC283619
0.7952 Intermediate Similarity NPC132542
0.7935 Intermediate Similarity NPC469491
0.7935 Intermediate Similarity NPC474690
0.7935 Intermediate Similarity NPC469406
0.7935 Intermediate Similarity NPC299100
0.7935 Intermediate Similarity NPC57117
0.7931 Intermediate Similarity NPC306951
0.7912 Intermediate Similarity NPC110923
0.7912 Intermediate Similarity NPC142838
0.7912 Intermediate Similarity NPC472811
0.7912 Intermediate Similarity NPC72845
0.7912 Intermediate Similarity NPC74296
0.7889 Intermediate Similarity NPC246028
0.7889 Intermediate Similarity NPC472983
0.7889 Intermediate Similarity NPC20946
0.7889 Intermediate Similarity NPC50488
0.7889 Intermediate Similarity NPC474396
0.7889 Intermediate Similarity NPC82876
0.7879 Intermediate Similarity NPC470024
0.7865 Intermediate Similarity NPC181327
0.7865 Intermediate Similarity NPC131329
0.7857 Intermediate Similarity NPC172867
0.7849 Intermediate Similarity NPC183012
0.7849 Intermediate Similarity NPC180950
0.7835 Intermediate Similarity NPC475050
0.7835 Intermediate Similarity NPC85742
0.7831 Intermediate Similarity NPC250621
0.7826 Intermediate Similarity NPC472812
0.7826 Intermediate Similarity NPC53555
0.7821 Intermediate Similarity NPC202017
0.7821 Intermediate Similarity NPC255781
0.7816 Intermediate Similarity NPC297398
0.7812 Intermediate Similarity NPC115862
0.7791 Intermediate Similarity NPC476646
0.7789 Intermediate Similarity NPC235464
0.7789 Intermediate Similarity NPC218107
0.7789 Intermediate Similarity NPC316598
0.7789 Intermediate Similarity NPC471717
0.7789 Intermediate Similarity NPC166745
0.7778 Intermediate Similarity NPC291665
0.7778 Intermediate Similarity NPC48107
0.7778 Intermediate Similarity NPC95863
0.7778 Intermediate Similarity NPC249889
0.7778 Intermediate Similarity NPC109376
0.7778 Intermediate Similarity NPC193843
0.7766 Intermediate Similarity NPC195366
0.7766 Intermediate Similarity NPC114743
0.7765 Intermediate Similarity NPC470429
0.7765 Intermediate Similarity NPC242767
0.7765 Intermediate Similarity NPC100906
0.7753 Intermediate Similarity NPC472974
0.7753 Intermediate Similarity NPC474970
0.7742 Intermediate Similarity NPC477129
0.7742 Intermediate Similarity NPC474922
0.7742 Intermediate Similarity NPC477130
0.7742 Intermediate Similarity NPC80365
0.7742 Intermediate Similarity NPC38830
0.7738 Intermediate Similarity NPC149550
0.7738 Intermediate Similarity NPC203403
0.7738 Intermediate Similarity NPC470428
0.7738 Intermediate Similarity NPC85105
0.7732 Intermediate Similarity NPC11956
0.7732 Intermediate Similarity NPC32577
0.7732 Intermediate Similarity NPC114540
0.7732 Intermediate Similarity NPC155332
0.7727 Intermediate Similarity NPC238485
0.7727 Intermediate Similarity NPC102048
0.7727 Intermediate Similarity NPC231310
0.7717 Intermediate Similarity NPC477574
0.7717 Intermediate Similarity NPC301244
0.7717 Intermediate Similarity NPC473675
0.7717 Intermediate Similarity NPC329842
0.7711 Intermediate Similarity NPC313179
0.7711 Intermediate Similarity NPC171148
0.7711 Intermediate Similarity NPC69383
0.7708 Intermediate Similarity NPC474012
0.7708 Intermediate Similarity NPC476299
0.7701 Intermediate Similarity NPC73882
0.7701 Intermediate Similarity NPC202389
0.7701 Intermediate Similarity NPC471218
0.77 Intermediate Similarity NPC224660
0.7692 Intermediate Similarity NPC257485
0.7692 Intermediate Similarity NPC310236
0.7692 Intermediate Similarity NPC470734
0.7684 Intermediate Similarity NPC253826
0.7684 Intermediate Similarity NPC208094
0.7684 Intermediate Similarity NPC474785
0.7684 Intermediate Similarity NPC108078
0.7684 Intermediate Similarity NPC320306
0.7684 Intermediate Similarity NPC474938
0.7674 Intermediate Similarity NPC269791
0.7674 Intermediate Similarity NPC472301
0.7674 Intermediate Similarity NPC96362
0.7667 Intermediate Similarity NPC475772
0.7667 Intermediate Similarity NPC166857
0.7667 Intermediate Similarity NPC473097
0.766 Intermediate Similarity NPC53565
0.766 Intermediate Similarity NPC472441
0.766 Intermediate Similarity NPC88310
0.766 Intermediate Similarity NPC276110
0.7654 Intermediate Similarity NPC34834
0.7654 Intermediate Similarity NPC92801
0.7653 Intermediate Similarity NPC23584
0.7653 Intermediate Similarity NPC72151
0.7653 Intermediate Similarity NPC171014
0.7653 Intermediate Similarity NPC95899
0.7647 Intermediate Similarity NPC83351
0.7647 Intermediate Similarity NPC17791
0.7647 Intermediate Similarity NPC476949
0.7647 Intermediate Similarity NPC167891
0.764 Intermediate Similarity NPC476602
0.764 Intermediate Similarity NPC471795
0.7634 Intermediate Similarity NPC139692
0.7634 Intermediate Similarity NPC134826
0.7629 Intermediate Similarity NPC118174
0.7629 Intermediate Similarity NPC81530
0.7629 Intermediate Similarity NPC224720
0.7629 Intermediate Similarity NPC476240
0.7629 Intermediate Similarity NPC476223
0.7625 Intermediate Similarity NPC96484
0.7619 Intermediate Similarity NPC106432
0.7619 Intermediate Similarity NPC253190
0.7614 Intermediate Similarity NPC82538
0.7614 Intermediate Similarity NPC311070
0.7614 Intermediate Similarity NPC312480
0.7614 Intermediate Similarity NPC237795
0.7614 Intermediate Similarity NPC470384

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC302360 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
0.7711 Intermediate Similarity NPD8264 Approved
0.7604 Intermediate Similarity NPD4225 Approved
0.7527 Intermediate Similarity NPD7515 Phase 2
0.7447 Intermediate Similarity NPD5779 Approved
0.7447 Intermediate Similarity NPD5778 Approved
0.7347 Intermediate Similarity NPD7640 Approved
0.7347 Intermediate Similarity NPD7639 Approved
0.7347 Intermediate Similarity NPD6648 Approved
0.7273 Intermediate Similarity NPD5344 Discontinued
0.7245 Intermediate Similarity NPD7638 Approved
0.7188 Intermediate Similarity NPD7748 Approved
0.7174 Intermediate Similarity NPD3618 Phase 1
0.7158 Intermediate Similarity NPD6079 Approved
0.7128 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD6101 Approved
0.7065 Intermediate Similarity NPD1696 Phase 3
0.7041 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD5222 Approved
0.7041 Intermediate Similarity NPD5221 Approved
0.703 Intermediate Similarity NPD5211 Phase 2
0.7011 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.6979 Remote Similarity NPD7637 Suspended
0.6979 Remote Similarity NPD6411 Approved
0.6972 Remote Similarity NPD7115 Discovery
0.697 Remote Similarity NPD7902 Approved
0.697 Remote Similarity NPD5173 Approved
0.6966 Remote Similarity NPD7645 Phase 2
0.6947 Remote Similarity NPD5328 Approved
0.6923 Remote Similarity NPD3667 Approved
0.6923 Remote Similarity NPD5697 Approved
0.6897 Remote Similarity NPD7339 Approved
0.6897 Remote Similarity NPD6942 Approved
0.6893 Remote Similarity NPD5141 Approved
0.6889 Remote Similarity NPD7525 Registered
0.6889 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6882 Remote Similarity NPD1694 Approved
0.6882 Remote Similarity NPD5363 Approved
0.6875 Remote Similarity NPD368 Approved
0.6875 Remote Similarity NPD7838 Discovery
0.6875 Remote Similarity NPD4192 Approved
0.6875 Remote Similarity NPD4191 Approved
0.6875 Remote Similarity NPD4194 Approved
0.6875 Remote Similarity NPD4193 Approved
0.6857 Remote Similarity NPD6011 Approved
0.6857 Remote Similarity NPD6881 Approved
0.6857 Remote Similarity NPD6899 Approved
0.6854 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6832 Remote Similarity NPD4696 Approved
0.6832 Remote Similarity NPD5286 Approved
0.6832 Remote Similarity NPD5285 Approved
0.6809 Remote Similarity NPD5279 Phase 3
0.6804 Remote Similarity NPD5284 Approved
0.6804 Remote Similarity NPD5281 Approved
0.6792 Remote Similarity NPD6013 Approved
0.6792 Remote Similarity NPD6014 Approved
0.6792 Remote Similarity NPD6012 Approved
0.6782 Remote Similarity NPD6926 Approved
0.6782 Remote Similarity NPD6924 Approved
0.6778 Remote Similarity NPD4195 Approved
0.6778 Remote Similarity NPD6929 Approved
0.6774 Remote Similarity NPD3665 Phase 1
0.6774 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6774 Remote Similarity NPD3666 Approved
0.6774 Remote Similarity NPD3133 Approved
0.6774 Remote Similarity NPD4786 Approved
0.6771 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5223 Approved
0.6744 Remote Similarity NPD7152 Approved
0.6744 Remote Similarity NPD7151 Approved
0.6744 Remote Similarity NPD7150 Approved
0.6739 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6737 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6737 Remote Similarity NPD3573 Approved
0.6735 Remote Similarity NPD6399 Phase 3
0.6735 Remote Similarity NPD4202 Approved
0.6733 Remote Similarity NPD5290 Discontinued
0.6733 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6729 Remote Similarity NPD7102 Approved
0.6729 Remote Similarity NPD7290 Approved
0.6729 Remote Similarity NPD6883 Approved
0.6703 Remote Similarity NPD4821 Approved
0.6703 Remote Similarity NPD4819 Approved
0.6703 Remote Similarity NPD7514 Phase 3
0.6703 Remote Similarity NPD6930 Phase 2
0.6703 Remote Similarity NPD4820 Approved
0.6703 Remote Similarity NPD7332 Phase 2
0.6703 Remote Similarity NPD6931 Approved
0.6703 Remote Similarity NPD4695 Discontinued
0.6703 Remote Similarity NPD4822 Approved
0.67 Remote Similarity NPD4697 Phase 3
0.6699 Remote Similarity NPD5225 Approved
0.6699 Remote Similarity NPD5224 Approved
0.6699 Remote Similarity NPD7632 Discontinued
0.6699 Remote Similarity NPD5226 Approved
0.6699 Remote Similarity NPD4633 Approved
0.6667 Remote Similarity NPD7145 Approved
0.6667 Remote Similarity NPD5331 Approved
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5362 Discontinued
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD6869 Approved
0.6667 Remote Similarity NPD6847 Approved
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD6650 Approved
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD4271 Approved
0.6667 Remote Similarity NPD5332 Approved
0.6667 Remote Similarity NPD4268 Approved
0.6667 Remote Similarity NPD6695 Phase 3
0.6667 Remote Similarity NPD6617 Approved
0.6635 Remote Similarity NPD5174 Approved
0.6635 Remote Similarity NPD5175 Approved
0.6634 Remote Similarity NPD4755 Approved
0.6632 Remote Similarity NPD4623 Approved
0.6632 Remote Similarity NPD4519 Discontinued
0.663 Remote Similarity NPD4790 Discontinued
0.663 Remote Similarity NPD6902 Approved
0.6629 Remote Similarity NPD6933 Approved
0.6628 Remote Similarity NPD7144 Approved
0.6628 Remote Similarity NPD7143 Approved
0.6606 Remote Similarity NPD6882 Approved
0.6606 Remote Similarity NPD8297 Approved
0.6604 Remote Similarity NPD5701 Approved
0.6596 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6579 Remote Similarity NPD7503 Approved
0.6559 Remote Similarity NPD4270 Approved
0.6559 Remote Similarity NPD4269 Approved
0.6556 Remote Similarity NPD6925 Approved
0.6556 Remote Similarity NPD5776 Phase 2
0.6556 Remote Similarity NPD4756 Discovery
0.6545 Remote Similarity NPD4632 Approved
0.6542 Remote Similarity NPD7320 Approved
0.6538 Remote Similarity NPD342 Phase 1
0.6531 Remote Similarity NPD5785 Approved
0.6526 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6522 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7509 Discontinued
0.6512 Remote Similarity NPD6922 Approved
0.6512 Remote Similarity NPD6923 Approved
0.6505 Remote Similarity NPD4700 Approved
0.6505 Remote Similarity NPD6404 Discontinued
0.6489 Remote Similarity NPD7154 Phase 3
0.6484 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6481 Remote Similarity NPD6373 Approved
0.6481 Remote Similarity NPD6372 Approved
0.6471 Remote Similarity NPD6084 Phase 2
0.6471 Remote Similarity NPD6083 Phase 2
0.6458 Remote Similarity NPD7521 Approved
0.6458 Remote Similarity NPD5330 Approved
0.6458 Remote Similarity NPD6684 Approved
0.6458 Remote Similarity NPD7146 Approved
0.6458 Remote Similarity NPD7334 Approved
0.6458 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6458 Remote Similarity NPD6409 Approved
0.6436 Remote Similarity NPD5210 Approved
0.6436 Remote Similarity NPD4629 Approved
0.6436 Remote Similarity NPD5695 Phase 3
0.6429 Remote Similarity NPD4753 Phase 2
0.6429 Remote Similarity NPD6868 Approved
0.6429 Remote Similarity NPD6051 Approved
0.6421 Remote Similarity NPD3668 Phase 3
0.6392 Remote Similarity NPD7750 Discontinued
0.6392 Remote Similarity NPD7524 Approved
0.6389 Remote Similarity NPD5168 Approved
0.6389 Remote Similarity NPD4729 Approved
0.6389 Remote Similarity NPD4730 Approved
0.6374 Remote Similarity NPD6932 Approved
0.6372 Remote Similarity NPD6009 Approved
0.6372 Remote Similarity NPD6317 Approved
0.6364 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6354 Remote Similarity NPD6893 Approved
0.6344 Remote Similarity NPD4748 Discontinued
0.6344 Remote Similarity NPD4252 Approved
0.6341 Remote Similarity NPD4246 Clinical (unspecified phase)
0.633 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6327 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6327 Remote Similarity NPD6672 Approved
0.6327 Remote Similarity NPD5737 Approved
0.6327 Remote Similarity NPD6903 Approved
0.6321 Remote Similarity NPD4754 Approved
0.6321 Remote Similarity NPD6647 Phase 2
0.6316 Remote Similarity NPD6335 Approved
0.6316 Remote Similarity NPD6313 Approved
0.6316 Remote Similarity NPD6314 Approved
0.63 Remote Similarity NPD5694 Approved
0.63 Remote Similarity NPD7983 Approved
0.6289 Remote Similarity NPD5280 Approved
0.6289 Remote Similarity NPD5690 Phase 2
0.6289 Remote Similarity NPD5786 Approved
0.6289 Remote Similarity NPD4694 Approved
0.6283 Remote Similarity NPD6274 Approved
0.6277 Remote Similarity NPD6898 Phase 1
0.6273 Remote Similarity NPD5250 Approved
0.6273 Remote Similarity NPD4634 Approved
0.6273 Remote Similarity NPD5249 Phase 3
0.6273 Remote Similarity NPD5169 Approved

Structure

External Identifiers

PubChem CID   16083153
ChEMBL   CHEMBL498066
ZINC  

Physicochemical Properties

Molecular Weight:  346.21
ALogP:  1.1829
MLogP:  3.33
XLogP:  3.066
# Rotatable Bonds:  11
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  25

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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