Natural Product: NPC57370

Natural Product ID:  NPC57370
Common Name:   Carneic Acid A
IUPAC Name:   (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
Synonyms:  
Molecular Formula:   C21H30O3
Standard InCHIKey:  KNDPLJZJPQWOMQ-XLSWVBTGSA-N
Standard InCHI:  InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17+,18-,20+,21-/m1/s1
Canonical SMILES:  C/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
NPO25413 Polyporus benzoinus Species Polyporaceae Eukaryota UNPD*
NPO25781 Cassinia uncata Species Asteraceae Eukaryota UNPD*
NPO23262 Lonicera xylosteum Species Caprifoliaceae Eukaryota UNPD*
NPO28797 Hypoxylon carneum Species Xylariaceae Eukaryota PMID[16933875]
NPO23823 Tessaria fastigiata Species Asteraceae Eukaryota UNPD*
NPO23528 Senecio swaziensis Species Asteraceae Eukaryota UNPD*
NPO3596 Podocarpus milanjianus Species Podocarpaceae Eukaryota UNPD*
NPO9463 Eschenbachia blinii Species Asteraceae Eukaryota UNPD*
NPO25288 Planchonia careya Species Lecythidaceae Eukaryota UNPD*
NPO25562 Cephaelis correae Species Rubiaceae Eukaryota UNPD*
NPO17651 Bridelia retusa Species Phyllanthaceae 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 = 12 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 NPC57370 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 NPC302360
0.95 High Similarity NPC109528
0.939 High Similarity NPC229612
0.939 High Similarity NPC7280
0.9125 High Similarity NPC224455
0.878 High Similarity NPC79945
0.8765 High Similarity NPC159148
0.8642 High Similarity NPC281880
0.8621 High Similarity NPC212948
0.8605 High Similarity NPC314727
0.8556 High Similarity NPC99726
0.8523 High Similarity NPC214697
0.8506 High Similarity NPC310479
0.8506 High Similarity NPC182136
0.8434 Intermediate Similarity NPC2524
0.8434 Intermediate Similarity NPC256112
0.8391 Intermediate Similarity NPC472240
0.8391 Intermediate Similarity NPC262858
0.8391 Intermediate Similarity NPC146554
0.8352 Intermediate Similarity NPC141401
0.8315 Intermediate Similarity NPC162615
0.8315 Intermediate Similarity NPC152778
0.8315 Intermediate Similarity NPC205034
0.8295 Intermediate Similarity NPC280149
0.8295 Intermediate Similarity NPC221111
0.8256 Intermediate Similarity NPC475069
0.8256 Intermediate Similarity NPC473226
0.8256 Intermediate Similarity NPC175145
0.8256 Intermediate Similarity NPC82979
0.8242 Intermediate Similarity NPC190713
0.8242 Intermediate Similarity NPC250757
0.8242 Intermediate Similarity NPC473153
0.8242 Intermediate Similarity NPC301534
0.8228 Intermediate Similarity NPC265485
0.8228 Intermediate Similarity NPC220939
0.8222 Intermediate Similarity NPC191521
0.8222 Intermediate Similarity NPC279410
0.8222 Intermediate Similarity NPC119562
0.8193 Intermediate Similarity NPC271104
0.8182 Intermediate Similarity NPC36668
0.8182 Intermediate Similarity NPC118011
0.8182 Intermediate Similarity NPC16265
0.8171 Intermediate Similarity NPC172066
0.8148 Intermediate Similarity NPC265588
0.8118 Intermediate Similarity NPC52108
0.8118 Intermediate Similarity NPC476927
0.8118 Intermediate Similarity NPC474789
0.8101 Intermediate Similarity NPC23954
0.8095 Intermediate Similarity NPC473420
0.8095 Intermediate Similarity NPC170303
0.8095 Intermediate Similarity NPC6663
0.8095 Intermediate Similarity NPC142163
0.809 Intermediate Similarity NPC78973
0.8068 Intermediate Similarity NPC473229
0.8068 Intermediate Similarity NPC104560
0.8049 Intermediate Similarity NPC91594
0.8049 Intermediate Similarity NPC132542
0.8049 Intermediate Similarity NPC283619
0.8043 Intermediate Similarity NPC16967
0.8023 Intermediate Similarity NPC306951
0.8022 Intermediate Similarity NPC476186
0.8022 Intermediate Similarity NPC470255
0.8 Intermediate Similarity NPC74296
0.8 Intermediate Similarity NPC110923
0.7979 Intermediate Similarity NPC266955
0.7978 Intermediate Similarity NPC474396
0.7978 Intermediate Similarity NPC50488
0.7955 Intermediate Similarity NPC245004
0.7931 Intermediate Similarity NPC35933
0.7927 Intermediate Similarity NPC250621
0.7922 Intermediate Similarity NPC202017
0.7922 Intermediate Similarity NPC255781
0.7912 Intermediate Similarity NPC476304
0.7912 Intermediate Similarity NPC38232
0.7895 Intermediate Similarity NPC282524
0.7895 Intermediate Similarity NPC115899
0.7882 Intermediate Similarity NPC476646
0.7875 Intermediate Similarity NPC95863
0.7872 Intermediate Similarity NPC478056
0.7872 Intermediate Similarity NPC108368
0.7872 Intermediate Similarity NPC57079
0.7872 Intermediate Similarity NPC92275
0.7872 Intermediate Similarity NPC474440
0.7865 Intermediate Similarity NPC249889
0.7865 Intermediate Similarity NPC193843
0.7857 Intermediate Similarity NPC470429
0.7857 Intermediate Similarity NPC242767
0.7857 Intermediate Similarity NPC100906
0.7841 Intermediate Similarity NPC131813
0.7841 Intermediate Similarity NPC472974
0.7831 Intermediate Similarity NPC470428
0.7831 Intermediate Similarity NPC85105
0.7831 Intermediate Similarity NPC203403
0.7831 Intermediate Similarity NPC149550
0.7826 Intermediate Similarity NPC469406
0.7826 Intermediate Similarity NPC299100
0.7826 Intermediate Similarity NPC57117
0.7826 Intermediate Similarity NPC469491
0.7826 Intermediate Similarity NPC474690
0.7816 Intermediate Similarity NPC238485
0.7816 Intermediate Similarity NPC231310
0.7805 Intermediate Similarity NPC69383
0.7805 Intermediate Similarity NPC171148
0.7805 Intermediate Similarity NPC313179
0.7802 Intermediate Similarity NPC472811
0.7802 Intermediate Similarity NPC72845
0.7802 Intermediate Similarity NPC301244
0.7802 Intermediate Similarity NPC142838
0.7791 Intermediate Similarity NPC202389
0.7791 Intermediate Similarity NPC73882
0.7778 Intermediate Similarity NPC20946
0.7778 Intermediate Similarity NPC470024
0.7778 Intermediate Similarity NPC310236
0.7778 Intermediate Similarity NPC82876
0.7778 Intermediate Similarity NPC246028
0.7778 Intermediate Similarity NPC472983
0.7765 Intermediate Similarity NPC96362
0.7765 Intermediate Similarity NPC472301
0.7755 Intermediate Similarity NPC172867
0.7753 Intermediate Similarity NPC131329
0.7753 Intermediate Similarity NPC475772
0.7753 Intermediate Similarity NPC181327
0.775 Intermediate Similarity NPC92801
0.775 Intermediate Similarity NPC34834
0.7742 Intermediate Similarity NPC180950
0.7742 Intermediate Similarity NPC183012
0.7738 Intermediate Similarity NPC476949
0.7738 Intermediate Similarity NPC167891
0.7738 Intermediate Similarity NPC83351
0.7732 Intermediate Similarity NPC475050
0.7732 Intermediate Similarity NPC85742
0.7727 Intermediate Similarity NPC471795
0.7722 Intermediate Similarity NPC96484
0.7717 Intermediate Similarity NPC472812
0.7717 Intermediate Similarity NPC53555
0.7717 Intermediate Similarity NPC134826
0.7711 Intermediate Similarity NPC106432
0.7711 Intermediate Similarity NPC253190
0.7708 Intermediate Similarity NPC115862
0.7701 Intermediate Similarity NPC297398
0.7701 Intermediate Similarity NPC311070
0.7701 Intermediate Similarity NPC312480
0.7701 Intermediate Similarity NPC470384
0.7684 Intermediate Similarity NPC166745
0.7684 Intermediate Similarity NPC471717
0.7684 Intermediate Similarity NPC316598
0.7684 Intermediate Similarity NPC218107
0.7684 Intermediate Similarity NPC103051
0.7684 Intermediate Similarity NPC235464
0.7683 Intermediate Similarity NPC476366
0.7683 Intermediate Similarity NPC22134
0.7683 Intermediate Similarity NPC477138
0.7683 Intermediate Similarity NPC243342
0.7683 Intermediate Similarity NPC201048
0.7677 Intermediate Similarity NPC109376
0.7667 Intermediate Similarity NPC291665
0.7667 Intermediate Similarity NPC48107
0.766 Intermediate Similarity NPC114743
0.766 Intermediate Similarity NPC195366
0.7654 Intermediate Similarity NPC477792
0.7654 Intermediate Similarity NPC242992
0.7647 Intermediate Similarity NPC281138
0.7647 Intermediate Similarity NPC170394
0.7647 Intermediate Similarity NPC308038
0.764 Intermediate Similarity NPC472986
0.764 Intermediate Similarity NPC194417
0.764 Intermediate Similarity NPC471219
0.764 Intermediate Similarity NPC329692
0.764 Intermediate Similarity NPC474970
0.764 Intermediate Similarity NPC472985
0.7634 Intermediate Similarity NPC477130
0.7634 Intermediate Similarity NPC38830
0.7634 Intermediate Similarity NPC474922
0.7634 Intermediate Similarity NPC80365
0.7634 Intermediate Similarity NPC477129
0.7629 Intermediate Similarity NPC114540
0.7629 Intermediate Similarity NPC11956
0.7629 Intermediate Similarity NPC32577
0.7629 Intermediate Similarity NPC155332
0.7625 Intermediate Similarity NPC471560
0.7619 Intermediate Similarity NPC471798
0.7619 Intermediate Similarity NPC470758
0.7619 Intermediate Similarity NPC470711
0.7614 Intermediate Similarity NPC102048
0.7614 Intermediate Similarity NPC472326
0.7614 Intermediate Similarity NPC33913
0.7609 Intermediate Similarity NPC329842
0.7609 Intermediate Similarity NPC186363
0.7609 Intermediate Similarity NPC477574
0.7609 Intermediate Similarity NPC233345
0.7609 Intermediate Similarity NPC473675
0.7604 Intermediate Similarity NPC474012
0.7604 Intermediate Similarity NPC476299
0.76 Intermediate Similarity NPC224660
0.759 Intermediate Similarity NPC291503
0.7586 Intermediate Similarity NPC471218
0.7586 Intermediate Similarity NPC93590
0.7586 Intermediate Similarity NPC87489
0.7586 Intermediate Similarity NPC49964
0.7582 Intermediate Similarity NPC474686

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC57370 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
0.7805 Intermediate Similarity NPD8264 Approved
0.75 Intermediate Similarity NPD4225 Approved
0.7419 Intermediate Similarity NPD7515 Phase 2
0.734 Intermediate Similarity NPD5779 Approved
0.734 Intermediate Similarity NPD5778 Approved
0.7253 Intermediate Similarity NPD3618 Phase 1
0.7245 Intermediate Similarity NPD7640 Approved
0.7245 Intermediate Similarity NPD7639 Approved
0.7245 Intermediate Similarity NPD6648 Approved
0.7234 Intermediate Similarity NPD6079 Approved
0.7172 Intermediate Similarity NPD5344 Discontinued
0.7143 Intermediate Similarity NPD7638 Approved
0.7143 Intermediate Similarity NPD1696 Phase 3
0.7093 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7748 Approved
0.7045 Intermediate Similarity NPD7645 Phase 2
0.7021 Intermediate Similarity NPD5328 Approved
0.7021 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6101 Approved
0.7 Intermediate Similarity NPD3667 Approved
0.6977 Remote Similarity NPD7339 Approved
0.6977 Remote Similarity NPD6942 Approved
0.6962 Remote Similarity NPD4194 Approved
0.6962 Remote Similarity NPD4191 Approved
0.6962 Remote Similarity NPD4193 Approved
0.6962 Remote Similarity NPD368 Approved
0.6962 Remote Similarity NPD4192 Approved
0.6957 Remote Similarity NPD1694 Approved
0.6939 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6939 Remote Similarity NPD5222 Approved
0.6939 Remote Similarity NPD5221 Approved
0.6932 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6931 Remote Similarity NPD5211 Phase 2
0.6882 Remote Similarity NPD5279 Phase 3
0.6881 Remote Similarity NPD7115 Discovery
0.6875 Remote Similarity NPD7637 Suspended
0.6875 Remote Similarity NPD6411 Approved
0.6869 Remote Similarity NPD7902 Approved
0.6869 Remote Similarity NPD5173 Approved
0.686 Remote Similarity NPD6926 Approved
0.686 Remote Similarity NPD6924 Approved
0.6854 Remote Similarity NPD4195 Approved
0.6854 Remote Similarity NPD6929 Approved
0.6848 Remote Similarity NPD3133 Approved
0.6848 Remote Similarity NPD4786 Approved
0.6848 Remote Similarity NPD3666 Approved
0.6848 Remote Similarity NPD3665 Phase 1
0.6827 Remote Similarity NPD5697 Approved
0.6824 Remote Similarity NPD7152 Approved
0.6824 Remote Similarity NPD7151 Approved
0.6824 Remote Similarity NPD7150 Approved
0.6809 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6809 Remote Similarity NPD3573 Approved
0.6804 Remote Similarity NPD4202 Approved
0.68 Remote Similarity NPD5290 Discontinued
0.6796 Remote Similarity NPD5141 Approved
0.6778 Remote Similarity NPD6931 Approved
0.6778 Remote Similarity NPD6930 Phase 2
0.6778 Remote Similarity NPD7525 Registered
0.6778 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6778 Remote Similarity NPD7514 Phase 3
0.6778 Remote Similarity NPD7332 Phase 2
0.6774 Remote Similarity NPD5363 Approved
0.6771 Remote Similarity NPD7838 Discovery
0.6762 Remote Similarity NPD6011 Approved
0.6762 Remote Similarity NPD6881 Approved
0.6762 Remote Similarity NPD6899 Approved
0.6742 Remote Similarity NPD7145 Approved
0.6733 Remote Similarity NPD5285 Approved
0.6733 Remote Similarity NPD5286 Approved
0.6733 Remote Similarity NPD4696 Approved
0.6706 Remote Similarity NPD7144 Approved
0.6706 Remote Similarity NPD7143 Approved
0.6705 Remote Similarity NPD6933 Approved
0.6703 Remote Similarity NPD6902 Approved
0.6702 Remote Similarity NPD4623 Approved
0.6702 Remote Similarity NPD4519 Discontinued
0.6701 Remote Similarity NPD5284 Approved
0.6701 Remote Similarity NPD5281 Approved
0.6698 Remote Similarity NPD6013 Approved
0.6698 Remote Similarity NPD6014 Approved
0.6698 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5223 Approved
0.6667 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6883 Approved
0.6636 Remote Similarity NPD7102 Approved
0.6636 Remote Similarity NPD7290 Approved
0.6634 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6633 Remote Similarity NPD6399 Phase 3
0.663 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6925 Approved
0.6629 Remote Similarity NPD5776 Phase 2
0.6623 Remote Similarity NPD342 Phase 1
0.6602 Remote Similarity NPD7632 Discontinued
0.6602 Remote Similarity NPD5225 Approved
0.6602 Remote Similarity NPD5224 Approved
0.6602 Remote Similarity NPD5226 Approved
0.6602 Remote Similarity NPD4633 Approved
0.66 Remote Similarity NPD4697 Phase 3
0.6596 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6593 Remote Similarity NPD7509 Discontinued
0.6593 Remote Similarity NPD4822 Approved
0.6593 Remote Similarity NPD4819 Approved
0.6593 Remote Similarity NPD4821 Approved
0.6593 Remote Similarity NPD4695 Discontinued
0.6593 Remote Similarity NPD4820 Approved
0.6588 Remote Similarity NPD6922 Approved
0.6588 Remote Similarity NPD6923 Approved
0.6574 Remote Similarity NPD6869 Approved
0.6574 Remote Similarity NPD6847 Approved
0.6574 Remote Similarity NPD6649 Approved
0.6574 Remote Similarity NPD8130 Phase 1
0.6574 Remote Similarity NPD6650 Approved
0.6574 Remote Similarity NPD6617 Approved
0.6571 Remote Similarity NPD7128 Approved
0.6571 Remote Similarity NPD6402 Approved
0.6571 Remote Similarity NPD6675 Approved
0.6571 Remote Similarity NPD5739 Approved
0.6569 Remote Similarity NPD6404 Discontinued
0.6566 Remote Similarity NPD7900 Approved
0.6566 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6559 Remote Similarity NPD5362 Discontinued
0.6559 Remote Similarity NPD5332 Approved
0.6559 Remote Similarity NPD6695 Phase 3
0.6559 Remote Similarity NPD5331 Approved
0.6556 Remote Similarity NPD4271 Approved
0.6556 Remote Similarity NPD4268 Approved
0.6538 Remote Similarity NPD5174 Approved
0.6538 Remote Similarity NPD5175 Approved
0.6535 Remote Similarity NPD4755 Approved
0.6526 Remote Similarity NPD7521 Approved
0.6526 Remote Similarity NPD5330 Approved
0.6526 Remote Similarity NPD6684 Approved
0.6526 Remote Similarity NPD7146 Approved
0.6526 Remote Similarity NPD7334 Approved
0.6526 Remote Similarity NPD6409 Approved
0.6522 Remote Similarity NPD4790 Discontinued
0.6514 Remote Similarity NPD6882 Approved
0.6514 Remote Similarity NPD8297 Approved
0.6509 Remote Similarity NPD5701 Approved
0.6491 Remote Similarity NPD7503 Approved
0.6489 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6455 Remote Similarity NPD4632 Approved
0.6452 Remote Similarity NPD4269 Approved
0.6452 Remote Similarity NPD4270 Approved
0.6449 Remote Similarity NPD7320 Approved
0.6444 Remote Similarity NPD6932 Approved
0.6444 Remote Similarity NPD4756 Discovery
0.6429 Remote Similarity NPD5785 Approved
0.6421 Remote Similarity NPD6893 Approved
0.642 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6413 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6413 Remote Similarity NPD4748 Discontinued
0.6408 Remote Similarity NPD4700 Approved
0.6392 Remote Similarity NPD6903 Approved
0.6392 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6373 Approved
0.6389 Remote Similarity NPD6372 Approved
0.6383 Remote Similarity NPD7154 Phase 3
0.6374 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6373 Remote Similarity NPD6084 Phase 2
0.6373 Remote Similarity NPD6083 Phase 2
0.6354 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6354 Remote Similarity NPD5280 Approved
0.6354 Remote Similarity NPD5690 Phase 2
0.6354 Remote Similarity NPD4694 Approved
0.6344 Remote Similarity NPD6898 Phase 1
0.6339 Remote Similarity NPD6868 Approved
0.6337 Remote Similarity NPD5695 Phase 3
0.6337 Remote Similarity NPD5210 Approved
0.6337 Remote Similarity NPD4629 Approved
0.6329 Remote Similarity NPD4219 Approved
0.6327 Remote Similarity NPD4753 Phase 2
0.6327 Remote Similarity NPD6051 Approved
0.6316 Remote Similarity NPD3668 Phase 3
0.631 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6296 Remote Similarity NPD5168 Approved
0.6296 Remote Similarity NPD4729 Approved
0.6296 Remote Similarity NPD4730 Approved
0.6292 Remote Similarity NPD4784 Approved
0.6292 Remote Similarity NPD4785 Approved
0.6289 Remote Similarity NPD7750 Discontinued
0.6289 Remote Similarity NPD7524 Approved
0.6283 Remote Similarity NPD6009 Approved
0.6283 Remote Similarity NPD6317 Approved
0.6277 Remote Similarity NPD4223 Phase 3
0.6277 Remote Similarity NPD4221 Approved
0.6273 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6263 Remote Similarity NPD5207 Approved
0.6239 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6237 Remote Similarity NPD4252 Approved
0.6228 Remote Similarity NPD6335 Approved
0.6228 Remote Similarity NPD6313 Approved
0.6228 Remote Similarity NPD6314 Approved
0.6226 Remote Similarity NPD4754 Approved
0.6226 Remote Similarity NPD6647 Phase 2
0.6224 Remote Similarity NPD5737 Approved
0.6224 Remote Similarity NPD6672 Approved
0.6222 Remote Similarity NPD8039 Approved

Structure

External Identifiers

PubChem CID   16083152
ChEMBL   CHEMBL498065
ZINC  

Physicochemical Properties

Molecular Weight:  330.22
ALogP:  2.0711
MLogP:  3.44
XLogP:  4.736
# Rotatable Bonds:  10
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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