Natural Product: NPC470395

Natural Product ID:  NPC470395
Common Name:   12-(5-Hydroxy-6-Methylpyridin-2-Yl)Dodecane-1,5-Diol
IUPAC Name:   12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,5-diol
Synonyms:   12'-hydroxy-8'-multijuguinol
Molecular Formula:   C18H31NO3
Standard InCHIKey:  RLBAFDJXAXIJCH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C18H31NO3/c1-15-18(22)13-12-16(19-15)9-5-3-2-4-6-10-17(21)11-7-8-14-20/h12-13,17,20-22H,2-11,14H2,1H3
Canonical SMILES:  OCCCCC(CCCCCCCc1ccc(c(n1)C)O)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
NPO9634 Senna multijuga Species Fabaceae Eukaryota PMID[22304303]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus MIC = 6 ug 21899267
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 28 % 19654408

  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 NPC470395 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
0.9853 High Similarity NPC470403
0.9853 High Similarity NPC470394
0.9853 High Similarity NPC470404
0.9236 High Similarity NPC284348
0.9028 High Similarity NPC257142
0.8716 High Similarity NPC153769
0.8699 High Similarity NPC220523
0.8571 High Similarity NPC161292
0.8487 Intermediate Similarity NPC116573
0.8113 Intermediate Similarity NPC44161
0.7947 Intermediate Similarity NPC471598
0.7808 Intermediate Similarity NPC174421
0.7725 Intermediate Similarity NPC478032
0.7682 Intermediate Similarity NPC280853
0.7658 Intermediate Similarity NPC63562
0.764 Intermediate Similarity NPC79911
0.7632 Intermediate Similarity NPC245657
0.7632 Intermediate Similarity NPC285016
0.7632 Intermediate Similarity NPC318935
0.7625 Intermediate Similarity NPC84508
0.7616 Intermediate Similarity NPC471596
0.7582 Intermediate Similarity NPC60553
0.7578 Intermediate Similarity NPC25899
0.7578 Intermediate Similarity NPC120798
0.7576 Intermediate Similarity NPC252590
0.7572 Intermediate Similarity NPC3715
0.7562 Intermediate Similarity NPC269919
0.7562 Intermediate Similarity NPC132680
0.7545 Intermediate Similarity NPC194724
0.7515 Intermediate Similarity NPC473764
0.7515 Intermediate Similarity NPC314940
0.7485 Intermediate Similarity NPC320394
0.7471 Intermediate Similarity NPC219963
0.7469 Intermediate Similarity NPC324203
0.7469 Intermediate Similarity NPC63338
0.7469 Intermediate Similarity NPC322976
0.7443 Intermediate Similarity NPC226202
0.7423 Intermediate Similarity NPC48192
0.741 Intermediate Similarity NPC126481
0.7399 Intermediate Similarity NPC314573
0.7386 Intermediate Similarity NPC471594
0.7378 Intermediate Similarity NPC263439
0.7378 Intermediate Similarity NPC118511
0.7341 Intermediate Similarity NPC42591
0.7314 Intermediate Similarity NPC110741
0.7294 Intermediate Similarity NPC283152
0.7278 Intermediate Similarity NPC95898
0.7273 Intermediate Similarity NPC211187
0.7267 Intermediate Similarity NPC266551
0.7267 Intermediate Similarity NPC36168
0.7267 Intermediate Similarity NPC161887
0.7267 Intermediate Similarity NPC26872
0.7262 Intermediate Similarity NPC253810
0.7255 Intermediate Similarity NPC328029
0.7212 Intermediate Similarity NPC315214
0.7212 Intermediate Similarity NPC47298
0.7186 Intermediate Similarity NPC108469
0.7184 Intermediate Similarity NPC62069
0.7181 Intermediate Similarity NPC278451
0.7169 Intermediate Similarity NPC32028
0.7169 Intermediate Similarity NPC159319
0.7162 Intermediate Similarity NPC151489
0.7151 Intermediate Similarity NPC230403
0.7134 Intermediate Similarity NPC26850
0.7126 Intermediate Similarity NPC471178
0.7115 Intermediate Similarity NPC85443
0.7108 Intermediate Similarity NPC124542
0.7108 Intermediate Similarity NPC177404
0.7108 Intermediate Similarity NPC471177
0.7108 Intermediate Similarity NPC59779
0.7101 Intermediate Similarity NPC256828
0.7066 Intermediate Similarity NPC473057
0.7059 Intermediate Similarity NPC158129
0.7045 Intermediate Similarity NPC20249
0.7043 Intermediate Similarity NPC274291
0.7043 Intermediate Similarity NPC118832
0.7043 Intermediate Similarity NPC47059
0.7043 Intermediate Similarity NPC165349
0.7043 Intermediate Similarity NPC329708
0.7043 Intermediate Similarity NPC264166
0.7018 Intermediate Similarity NPC471294
0.7018 Intermediate Similarity NPC259545
0.6995 Remote Similarity NPC472284
0.6983 Remote Similarity NPC144381
0.6971 Remote Similarity NPC118776
0.6968 Remote Similarity NPC316403
0.6961 Remote Similarity NPC279401
0.6961 Remote Similarity NPC79293
0.6959 Remote Similarity NPC121658
0.6959 Remote Similarity NPC14651
0.6957 Remote Similarity NPC18487
0.6954 Remote Similarity NPC472168
0.6952 Remote Similarity NPC470500
0.6952 Remote Similarity NPC137929
0.6952 Remote Similarity NPC164374
0.6949 Remote Similarity NPC241025
0.6941 Remote Similarity NPC1527
0.6936 Remote Similarity NPC203754
0.6936 Remote Similarity NPC288943
0.6936 Remote Similarity NPC150048
0.6929 Remote Similarity NPC255721
0.6927 Remote Similarity NPC230805
0.6915 Remote Similarity NPC471736
0.6914 Remote Similarity NPC52831
0.6914 Remote Similarity NPC325705
0.6901 Remote Similarity NPC476518
0.6879 Remote Similarity NPC312872
0.6872 Remote Similarity NPC66083
0.6872 Remote Similarity NPC314270
0.6867 Remote Similarity NPC477889
0.6857 Remote Similarity NPC232340
0.6851 Remote Similarity NPC469390
0.6845 Remote Similarity NPC66815
0.6842 Remote Similarity NPC477111
0.6837 Remote Similarity NPC313804
0.6837 Remote Similarity NPC315804
0.6828 Remote Similarity NPC249040
0.6825 Remote Similarity NPC472286
0.6825 Remote Similarity NPC472287
0.6821 Remote Similarity NPC474409
0.6818 Remote Similarity NPC249662
0.6818 Remote Similarity NPC478023
0.6816 Remote Similarity NPC194040
0.6809 Remote Similarity NPC317572
0.6786 Remote Similarity NPC76327
0.6782 Remote Similarity NPC303225
0.678 Remote Similarity NPC314394
0.6774 Remote Similarity NPC128823
0.6774 Remote Similarity NPC476167
0.6771 Remote Similarity NPC5145
0.6769 Remote Similarity NPC477110
0.6766 Remote Similarity NPC244536
0.6765 Remote Similarity NPC213774
0.6761 Remote Similarity NPC88363
0.6754 Remote Similarity NPC308392
0.6746 Remote Similarity NPC285635
0.6743 Remote Similarity NPC134586
0.6742 Remote Similarity NPC133306
0.674 Remote Similarity NPC183805
0.6724 Remote Similarity NPC111624
0.6722 Remote Similarity NPC61350
0.6721 Remote Similarity NPC114335
0.6721 Remote Similarity NPC141915
0.6721 Remote Similarity NPC280964
0.672 Remote Similarity NPC192315
0.6719 Remote Similarity NPC469589
0.671 Remote Similarity NPC313466
0.6705 Remote Similarity NPC211997
0.6701 Remote Similarity NPC203168
0.6686 Remote Similarity NPC41717
0.6685 Remote Similarity NPC144114
0.6685 Remote Similarity NPC289786
0.6684 Remote Similarity NPC280714
0.6667 Remote Similarity NPC42979
0.6667 Remote Similarity NPC288445
0.6667 Remote Similarity NPC476688
0.6667 Remote Similarity NPC314002
0.6667 Remote Similarity NPC256893
0.6667 Remote Similarity NPC295158
0.6667 Remote Similarity NPC72980
0.6667 Remote Similarity NPC105758
0.6667 Remote Similarity NPC476686
0.6667 Remote Similarity NPC94943
0.665 Remote Similarity NPC314552
0.6649 Remote Similarity NPC472111
0.6649 Remote Similarity NPC475841
0.6649 Remote Similarity NPC474145
0.6649 Remote Similarity NPC477113
0.6648 Remote Similarity NPC246700
0.6648 Remote Similarity NPC128751
0.6648 Remote Similarity NPC224764
0.6647 Remote Similarity NPC278874
0.6647 Remote Similarity NPC322644
0.6646 Remote Similarity NPC302159
0.663 Remote Similarity NPC171171
0.6629 Remote Similarity NPC222592
0.6629 Remote Similarity NPC168486
0.6629 Remote Similarity NPC34508
0.6626 Remote Similarity NPC471323
0.6623 Remote Similarity NPC165370
0.6623 Remote Similarity NPC471311
0.6623 Remote Similarity NPC471313
0.6616 Remote Similarity NPC469594
0.6612 Remote Similarity NPC469497
0.6612 Remote Similarity NPC106833
0.6611 Remote Similarity NPC207851
0.6611 Remote Similarity NPC204717
0.6611 Remote Similarity NPC190007
0.661 Remote Similarity NPC184964
0.6608 Remote Similarity NPC224632
0.6598 Remote Similarity NPC219664
0.6595 Remote Similarity NPC45850
0.6593 Remote Similarity NPC36498
0.6592 Remote Similarity NPC477891
0.6584 Remote Similarity NPC314113
0.6582 Remote Similarity NPC471080
0.6582 Remote Similarity NPC469592
0.6578 Remote Similarity NPC267928
0.6578 Remote Similarity NPC474188
0.6571 Remote Similarity NPC258773

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470395 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
0.9 High Similarity NPD861 Approved
0.9 High Similarity NPD863 Approved
0.9 High Similarity NPD862 Approved
0.8623 High Similarity NPD5352 Clinical (unspecified phase)
0.8312 Intermediate Similarity NPD604 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD3525 Discontinued
0.7818 Intermediate Similarity NPD6159 Phase 2
0.7727 Intermediate Similarity NPD2177 Approved
0.7727 Intermediate Similarity NPD2176 Approved
0.7727 Intermediate Similarity NPD2175 Phase 3
0.7673 Intermediate Similarity NPD4670 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD4669 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD4671 Clinical (unspecified phase)
0.7588 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD9382 Approved
0.7562 Intermediate Similarity NPD9383 Approved
0.7471 Intermediate Similarity NPD5316 Approved
0.7469 Intermediate Similarity NPD9398 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD9706 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD2383 Phase 1
0.7337 Intermediate Similarity NPD6290 Phase 2
0.7278 Intermediate Similarity NPD158 Discontinued
0.7278 Intermediate Similarity NPD9690 Approved
0.7273 Intermediate Similarity NPD5936 Approved
0.7273 Intermediate Similarity NPD5939 Approved
0.7273 Intermediate Similarity NPD4502 Phase 2
0.7262 Intermediate Similarity NPD2123 Phase 3
0.7212 Intermediate Similarity NPD1684 Approved
0.7212 Intermediate Similarity NPD1685 Approved
0.7195 Intermediate Similarity NPD5255 Approved
0.7161 Intermediate Similarity NPD9076 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD9705 Discontinued
0.7152 Intermediate Similarity NPD112 Approved
0.7101 Intermediate Similarity NPD565 Phase 2
0.7069 Intermediate Similarity NPD4203 Approved
0.7069 Intermediate Similarity NPD4204 Approved
0.7051 Intermediate Similarity NPD852 Discontinued
0.7043 Intermediate Similarity NPD4038 Approved
0.7043 Intermediate Similarity NPD32 Approved
0.7043 Intermediate Similarity NPD4035 Approved
0.7043 Intermediate Similarity NPD4122 Approved
0.7043 Intermediate Similarity NPD4037 Approved
0.7043 Intermediate Similarity NPD4034 Approved
0.7043 Intermediate Similarity NPD4033 Approved
0.7043 Intermediate Similarity NPD31 Approved
0.7043 Intermediate Similarity NPD4036 Approved
0.7043 Intermediate Similarity NPD4039 Approved
0.7041 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.6994 Remote Similarity NPD6158 Phase 2
0.6994 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6966 Remote Similarity NPD1034 Phase 3
0.6966 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6961 Remote Similarity NPD9695 Approved
0.6959 Remote Similarity NPD8109 Clinical (unspecified phase)
0.694 Remote Similarity NPD1229 Phase 2
0.6936 Remote Similarity NPD2382 Approved
0.6936 Remote Similarity NPD2381 Approved
0.6936 Remote Similarity NPD2380 Approved
0.6932 Remote Similarity NPD5522 Clinical (unspecified phase)
0.6928 Remote Similarity NPD2581 Approved
0.6928 Remote Similarity NPD2582 Approved
0.6927 Remote Similarity NPD408 Approved
0.6927 Remote Similarity NPD9714 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6590 Discontinued
0.6914 Remote Similarity NPD9510 Approved
0.6902 Remote Similarity NPD2727 Phase 2
0.6901 Remote Similarity NPD4724 Clinical (unspecified phase)
0.6897 Remote Similarity NPD5751 Clinical (unspecified phase)
0.689 Remote Similarity NPD2882 Phase 1
0.6889 Remote Similarity NPD1213 Phase 3
0.6885 Remote Similarity NPD6550 Discontinued
0.6885 Remote Similarity NPD3478 Clinical (unspecified phase)
0.6885 Remote Similarity NPD3477 Phase 2
0.6857 Remote Similarity NPD3920 Phase 2
0.6854 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6842 Remote Similarity NPD2781 Approved
0.6836 Remote Similarity NPD5596 Phase 2
0.6824 Remote Similarity NPD2782 Approved
0.6824 Remote Similarity NPD2780 Approved
0.6824 Remote Similarity NPD925 Approved
0.6824 Remote Similarity NPD926 Approved
0.6816 Remote Similarity NPD5256 Discontinued
0.6813 Remote Similarity NPD6569 Phase 2
0.6793 Remote Similarity NPD5512 Phase 3
0.6788 Remote Similarity NPD9596 Approved
0.6788 Remote Similarity NPD9595 Approved
0.6786 Remote Similarity NPD9507 Approved
0.6784 Remote Similarity NPD424 Approved
0.6784 Remote Similarity NPD425 Approved
0.677 Remote Similarity NPD3717 Discontinued
0.6766 Remote Similarity NPD4086 Phase 1
0.6761 Remote Similarity NPD1503 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6491 Clinical (unspecified phase)
0.6736 Remote Similarity NPD7703 Clinical (unspecified phase)
0.6726 Remote Similarity NPD9574 Clinical (unspecified phase)
0.6721 Remote Similarity NPD9689 Approved
0.672 Remote Similarity NPD712 Clinical (unspecified phase)
0.672 Remote Similarity NPD7889 Clinical (unspecified phase)
0.6708 Remote Similarity NPD1592 Phase 3
0.6705 Remote Similarity NPD6641 Approved
0.6705 Remote Similarity NPD6642 Approved
0.6702 Remote Similarity NPD7222 Phase 2
0.6688 Remote Similarity NPD1095 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6283 Phase 2
0.6685 Remote Similarity NPD7414 Clinical (unspecified phase)
0.6685 Remote Similarity NPD6393 Clinical (unspecified phase)
0.6685 Remote Similarity NPD3386 Phase 2
0.6683 Remote Similarity NPD7726 Phase 1
0.6667 Remote Similarity NPD1620 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6988 Phase 1
0.665 Remote Similarity NPD8356 Approved
0.665 Remote Similarity NPD5164 Discontinued
0.6649 Remote Similarity NPD3395 Approved
0.6649 Remote Similarity NPD3396 Approved
0.6647 Remote Similarity NPD1418 Phase 2
0.6644 Remote Similarity NPD9342 Approved
0.6643 Remote Similarity NPD9376 Approved
0.663 Remote Similarity NPD4375 Approved
0.663 Remote Similarity NPD5317 Clinical (unspecified phase)
0.6629 Remote Similarity NPD2077 Approved
0.6629 Remote Similarity NPD2076 Approved
0.6623 Remote Similarity NPD522 Approved
0.6612 Remote Similarity NPD3321 Discontinued
0.6612 Remote Similarity NPD8063 Discontinued
0.6609 Remote Similarity NPD5320 Approved
0.6609 Remote Similarity NPD5319 Approved
0.6609 Remote Similarity NPD7474 Suspended
0.6606 Remote Similarity NPD4703 Approved
0.6606 Remote Similarity NPD4702 Approved
0.6598 Remote Similarity NPD5420 Discontinued
0.6596 Remote Similarity NPD1768 Approved
0.6593 Remote Similarity NPD9364 Phase 2
0.6593 Remote Similarity NPD9363 Approved
0.6575 Remote Similarity NPD3082 Discontinued
0.6575 Remote Similarity NPD2762 Phase 2
0.6564 Remote Similarity NPD3779 Clinical (unspecified phase)
0.6562 Remote Similarity NPD9506 Approved
0.6534 Remote Similarity NPD6183 Clinical (unspecified phase)
0.6534 Remote Similarity NPD7418 Discontinued
0.6534 Remote Similarity NPD6182 Approved
0.6534 Remote Similarity NPD43 Approved
0.6528 Remote Similarity NPD7452 Approved
0.6528 Remote Similarity NPD7453 Approved
0.6528 Remote Similarity NPD5429 Discontinued
0.6524 Remote Similarity NPD3813 Approved
0.652 Remote Similarity NPD8430 Approved
0.6516 Remote Similarity NPD9284 Approved
0.6515 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6508 Remote Similarity NPD9687 Approved
0.6508 Remote Similarity NPD9688 Approved
0.6505 Remote Similarity NPD6361 Phase 2
0.6503 Remote Similarity NPD4805 Approved
0.6497 Remote Similarity NPD6492 Phase 2
0.6494 Remote Similarity NPD4554 Clinical (unspecified phase)
0.6489 Remote Similarity NPD2952 Discontinued
0.6486 Remote Similarity NPD4699 Discontinued
0.6484 Remote Similarity NPD4889 Approved
0.6484 Remote Similarity NPD6227 Discontinued
0.648 Remote Similarity NPD5416 Discontinued
0.6477 Remote Similarity NPD3003 Approved
0.6477 Remote Similarity NPD3842 Clinical (unspecified phase)
0.6474 Remote Similarity NPD444 Approved
0.6474 Remote Similarity NPD5140 Approved
0.6474 Remote Similarity NPD5138 Approved
0.6474 Remote Similarity NPD5497 Clinical (unspecified phase)
0.6474 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6861 Clinical (unspecified phase)
0.6471 Remote Similarity NPD3810 Clinical (unspecified phase)
0.6452 Remote Similarity NPD3922 Approved
0.6452 Remote Similarity NPD3924 Approved
0.6452 Remote Similarity NPD3923 Approved
0.6452 Remote Similarity NPD3921 Approved
0.6448 Remote Similarity NPD3039 Clinical (unspecified phase)
0.6443 Remote Similarity NPD313 Approved
0.6442 Remote Similarity NPD1649 Discontinued
0.6439 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6432 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6424 Remote Similarity NPD1352 Discontinued
0.6424 Remote Similarity NPD8823 Approved
0.6421 Remote Similarity NPD5999 Phase 2
0.642 Remote Similarity NPD2323 Clinical (unspecified phase)
0.6418 Remote Similarity NPD3875 Discontinued
0.6417 Remote Similarity NPD4526 Approved
0.6417 Remote Similarity NPD4528 Approved
0.6417 Remote Similarity NPD5575 Clinical (unspecified phase)
0.6417 Remote Similarity NPD4529 Approved
0.6417 Remote Similarity NPD4551 Phase 2
0.6414 Remote Similarity NPD2615 Phase 3
0.6414 Remote Similarity NPD2616 Phase 3
0.6406 Remote Similarity NPD3931 Approved
0.6406 Remote Similarity NPD3928 Approved
0.6406 Remote Similarity NPD6975 Discontinued
0.6404 Remote Similarity NPD1856 Discontinued
0.6402 Remote Similarity NPD7948 Phase 1
0.6402 Remote Similarity NPD5020 Approved
0.6396 Remote Similarity NPD7468 Clinical (unspecified phase)
0.6396 Remote Similarity NPD6220 Phase 3
0.6395 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6392 Remote Similarity NPD5530 Phase 1
0.639 Remote Similarity NPD5640 Discontinued

Structure

External Identifiers

PubChem CID   57379200
ChEMBL   CHEMBL2022771
ZINC  

Physicochemical Properties

Molecular Weight:  309.23
ALogP:  -3.3166
MLogP:  3
XLogP:  3.84
# Rotatable Bonds:  16
Polar Surface Area:  73.58
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  22

Download Data

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