Natural Product: NPC1793

Natural Product ID:  NPC1793
Common Name:   (Z)-7-Hydroxynuciferol
IUPAC Name:   (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol
Synonyms:   (Z)-7-Hydroxynuciferol
Molecular Formula:   C15H22O2
Standard InCHIKey:  GIBUWLSTZDPUEL-ACAGNQJTSA-N
Standard InCHI:  InChI=1S/C15H22O2/c1-12-6-8-14(9-7-12)15(3,17)10-4-5-13(2)11-16/h5-9,16-17H,4,10-11H2,1-3H3/b13-5-
Canonical SMILES:  OC/C(=CCCC(c1ccc(cc1)C)(O)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
NPO17691 Santalum album Species Santalaceae Eukaryota TCM_Taiwan*
NPO17691 Santalum album Species Santalaceae Eukaryota PMID[15974602]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT451 Organism Helicobacter pylori Helicobacter pylori IZ = 24.9 mm 15974602
NPT452 Organism Helicobacter pylori SS1 Helicobacter pylori SS1 IZ = 11.2 mm 15974602

  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 NPC1793 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
0.9639 High Similarity NPC474211
0.9518 High Similarity NPC474354
0.9405 High Similarity NPC93843
0.9398 High Similarity NPC168855
0.9167 High Similarity NPC304538
0.9091 High Similarity NPC79917
0.9036 High Similarity NPC133050
0.8929 High Similarity NPC87299
0.8929 High Similarity NPC329319
0.8929 High Similarity NPC103326
0.8929 High Similarity NPC99394
0.8824 High Similarity NPC172984
0.881 High Similarity NPC117180
0.8737 High Similarity NPC19856
0.869 High Similarity NPC328178
0.8646 High Similarity NPC315794
0.8571 High Similarity NPC128645
0.8557 High Similarity NPC471133
0.8554 High Similarity NPC66655
0.8526 High Similarity NPC289117
0.8526 High Similarity NPC469481
0.8454 Intermediate Similarity NPC475225
0.8452 Intermediate Similarity NPC224544
0.8438 Intermediate Similarity NPC60373
0.8438 Intermediate Similarity NPC154905
0.8384 Intermediate Similarity NPC27252
0.8384 Intermediate Similarity NPC472980
0.8384 Intermediate Similarity NPC472979
0.8384 Intermediate Similarity NPC66834
0.837 Intermediate Similarity NPC314690
0.8351 Intermediate Similarity NPC235762
0.8351 Intermediate Similarity NPC471228
0.8333 Intermediate Similarity NPC72729
0.8333 Intermediate Similarity NPC174911
0.8316 Intermediate Similarity NPC474073
0.8315 Intermediate Similarity NPC243166
0.8313 Intermediate Similarity NPC189371
0.8295 Intermediate Similarity NPC95429
0.8276 Intermediate Similarity NPC106313
0.8242 Intermediate Similarity NPC199567
0.8202 Intermediate Similarity NPC99482
0.8193 Intermediate Similarity NPC108218
0.8182 Intermediate Similarity NPC243601
0.8137 Intermediate Similarity NPC133308
0.8125 Intermediate Similarity NPC79241
0.8125 Intermediate Similarity NPC6597
0.8119 Intermediate Similarity NPC149455
0.8119 Intermediate Similarity NPC64642
0.8119 Intermediate Similarity NPC472982
0.8085 Intermediate Similarity NPC138117
0.8085 Intermediate Similarity NPC325292
0.8068 Intermediate Similarity NPC475199
0.8068 Intermediate Similarity NPC283012
0.8065 Intermediate Similarity NPC300017
0.8058 Intermediate Similarity NPC111108
0.8041 Intermediate Similarity NPC33675
0.8041 Intermediate Similarity NPC128723
0.8041 Intermediate Similarity NPC299762
0.8022 Intermediate Similarity NPC211237
0.8021 Intermediate Similarity NPC312132
0.8021 Intermediate Similarity NPC259512
0.8 Intermediate Similarity NPC316301
0.8 Intermediate Similarity NPC27323
0.8 Intermediate Similarity NPC152415
0.7981 Intermediate Similarity NPC228452
0.7979 Intermediate Similarity NPC304541
0.7959 Intermediate Similarity NPC294741
0.7957 Intermediate Similarity NPC123273
0.7957 Intermediate Similarity NPC242240
0.7957 Intermediate Similarity NPC318325
0.7955 Intermediate Similarity NPC242628
0.7952 Intermediate Similarity NPC208302
0.7931 Intermediate Similarity NPC469894
0.7921 Intermediate Similarity NPC310456
0.7921 Intermediate Similarity NPC53740
0.7917 Intermediate Similarity NPC21959
0.7917 Intermediate Similarity NPC313650
0.79 Intermediate Similarity NPC323810
0.7895 Intermediate Similarity NPC94139
0.7895 Intermediate Similarity NPC306884
0.7895 Intermediate Similarity NPC55903
0.7895 Intermediate Similarity NPC147284
0.7895 Intermediate Similarity NPC3358
0.7895 Intermediate Similarity NPC210497
0.7895 Intermediate Similarity NPC162314
0.7885 Intermediate Similarity NPC471188
0.7879 Intermediate Similarity NPC252105
0.7879 Intermediate Similarity NPC101025
0.7879 Intermediate Similarity NPC471578
0.7872 Intermediate Similarity NPC312304
0.7872 Intermediate Similarity NPC192
0.7865 Intermediate Similarity NPC121478
0.7865 Intermediate Similarity NPC73637
0.7857 Intermediate Similarity NPC78119
0.7857 Intermediate Similarity NPC216468
0.7857 Intermediate Similarity NPC132078
0.7857 Intermediate Similarity NPC92730
0.7857 Intermediate Similarity NPC51333
0.7849 Intermediate Similarity NPC27974
0.7849 Intermediate Similarity NPC25493
0.7849 Intermediate Similarity NPC104216
0.7849 Intermediate Similarity NPC113460
0.7843 Intermediate Similarity NPC474352
0.7841 Intermediate Similarity NPC184030
0.7841 Intermediate Similarity NPC164449
0.7822 Intermediate Similarity NPC47284
0.7812 Intermediate Similarity NPC289769
0.781 Intermediate Similarity NPC302371
0.7789 Intermediate Similarity NPC306074
0.7789 Intermediate Similarity NPC231150
0.7789 Intermediate Similarity NPC155908
0.7788 Intermediate Similarity NPC132720
0.7778 Intermediate Similarity NPC213730
0.7767 Intermediate Similarity NPC306295
0.7766 Intermediate Similarity NPC177420
0.7766 Intermediate Similarity NPC258219
0.7766 Intermediate Similarity NPC280347
0.7755 Intermediate Similarity NPC225464
0.7755 Intermediate Similarity NPC77492
0.7742 Intermediate Similarity NPC307235
0.7742 Intermediate Similarity NPC23167
0.7742 Intermediate Similarity NPC407
0.7732 Intermediate Similarity NPC26244
0.7732 Intermediate Similarity NPC222146
0.7723 Intermediate Similarity NPC472222
0.7723 Intermediate Similarity NPC472221
0.77 Intermediate Similarity NPC91461
0.77 Intermediate Similarity NPC40258
0.77 Intermediate Similarity NPC80800
0.77 Intermediate Similarity NPC304873
0.77 Intermediate Similarity NPC7686
0.77 Intermediate Similarity NPC25458
0.77 Intermediate Similarity NPC477685
0.7692 Intermediate Similarity NPC473524
0.7685 Intermediate Similarity NPC212891
0.7684 Intermediate Similarity NPC55561
0.7684 Intermediate Similarity NPC300478
0.7684 Intermediate Similarity NPC47950
0.7684 Intermediate Similarity NPC220596
0.7677 Intermediate Similarity NPC217621
0.7677 Intermediate Similarity NPC252821
0.7677 Intermediate Similarity NPC122005
0.767 Intermediate Similarity NPC305603
0.767 Intermediate Similarity NPC61033
0.7653 Intermediate Similarity NPC216520
0.7653 Intermediate Similarity NPC82664
0.7653 Intermediate Similarity NPC292730
0.7653 Intermediate Similarity NPC473388
0.7653 Intermediate Similarity NPC132271
0.7647 Intermediate Similarity NPC154899
0.7647 Intermediate Similarity NPC471350
0.7647 Intermediate Similarity NPC233396
0.7634 Intermediate Similarity NPC197783
0.7634 Intermediate Similarity NPC155393
0.7629 Intermediate Similarity NPC20142
0.7629 Intermediate Similarity NPC215351
0.7629 Intermediate Similarity NPC76938
0.7629 Intermediate Similarity NPC245187
0.7629 Intermediate Similarity NPC151715
0.7624 Intermediate Similarity NPC62351
0.7624 Intermediate Similarity NPC108497
0.7619 Intermediate Similarity NPC475002
0.7619 Intermediate Similarity NPC474057
0.7619 Intermediate Similarity NPC95126
0.7615 Intermediate Similarity NPC320864
0.7604 Intermediate Similarity NPC270547
0.7604 Intermediate Similarity NPC265521
0.7604 Intermediate Similarity NPC45040
0.76 Intermediate Similarity NPC214200
0.76 Intermediate Similarity NPC225506
0.76 Intermediate Similarity NPC248396
0.76 Intermediate Similarity NPC228400
0.76 Intermediate Similarity NPC129373
0.76 Intermediate Similarity NPC130103
0.76 Intermediate Similarity NPC48730
0.7596 Intermediate Similarity NPC262365
0.759 Intermediate Similarity NPC239931
0.759 Intermediate Similarity NPC78954
0.759 Intermediate Similarity NPC82770
0.7582 Intermediate Similarity NPC477770
0.7579 Intermediate Similarity NPC70940
0.7579 Intermediate Similarity NPC86670
0.7579 Intermediate Similarity NPC274455
0.7576 Intermediate Similarity NPC164514
0.7576 Intermediate Similarity NPC290515
0.7576 Intermediate Similarity NPC226096
0.7576 Intermediate Similarity NPC317280
0.7576 Intermediate Similarity NPC175852
0.7576 Intermediate Similarity NPC210529
0.7576 Intermediate Similarity NPC152097
0.7576 Intermediate Similarity NPC160548
0.7576 Intermediate Similarity NPC108606
0.7576 Intermediate Similarity NPC475078
0.7576 Intermediate Similarity NPC329387
0.7576 Intermediate Similarity NPC303611
0.7573 Intermediate Similarity NPC135464
0.7573 Intermediate Similarity NPC136962
0.7573 Intermediate Similarity NPC92623
0.757 Intermediate Similarity NPC319803
0.757 Intermediate Similarity NPC169616

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC1793 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
0.8554 High Similarity NPD9294 Approved
0.8351 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.8105 Intermediate Similarity NPD844 Approved
0.8021 Intermediate Similarity NPD288 Approved
0.8 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7959 Intermediate Similarity NPD1616 Discontinued
0.7895 Intermediate Similarity NPD845 Approved
0.7857 Intermediate Similarity NPD3020 Approved
0.7742 Intermediate Similarity NPD1101 Approved
0.7732 Intermediate Similarity NPD2859 Approved
0.7732 Intermediate Similarity NPD2860 Approved
0.7629 Intermediate Similarity NPD2933 Approved
0.7629 Intermediate Similarity NPD2934 Approved
0.76 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7579 Intermediate Similarity NPD1090 Approved
0.7579 Intermediate Similarity NPD1086 Approved
0.7579 Intermediate Similarity NPD1089 Approved
0.7576 Intermediate Similarity NPD9609 Approved
0.7576 Intermediate Similarity NPD9611 Approved
0.7576 Intermediate Similarity NPD9495 Approved
0.7576 Intermediate Similarity NPD9612 Approved
0.757 Intermediate Similarity NPD4869 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD1809 Phase 2
0.7526 Intermediate Similarity NPD3719 Approved
0.7526 Intermediate Similarity NPD3718 Approved
0.7525 Intermediate Similarity NPD855 Approved
0.7525 Intermediate Similarity NPD4818 Approved
0.7525 Intermediate Similarity NPD854 Approved
0.7525 Intermediate Similarity NPD4817 Approved
0.7474 Intermediate Similarity NPD800 Approved
0.7449 Intermediate Similarity NPD1693 Approved
0.7449 Intermediate Similarity NPD4814 Discontinued
0.7431 Intermediate Similarity NPD4198 Discontinued
0.7423 Intermediate Similarity NPD1088 Approved
0.7419 Intermediate Similarity NPD111 Approved
0.7411 Intermediate Similarity NPD7725 Approved
0.7379 Intermediate Similarity NPD1237 Approved
0.7363 Intermediate Similarity NPD9250 Approved
0.7358 Intermediate Similarity NPD4750 Phase 3
0.7353 Intermediate Similarity NPD846 Approved
0.7353 Intermediate Similarity NPD940 Approved
0.7347 Intermediate Similarity NPD1409 Phase 3
0.7315 Intermediate Similarity NPD7635 Approved
0.7282 Intermediate Similarity NPD4656 Approved
0.7282 Intermediate Similarity NPD4229 Approved
0.7282 Intermediate Similarity NPD3681 Approved
0.7282 Intermediate Similarity NPD3680 Approved
0.7282 Intermediate Similarity NPD4231 Approved
0.7282 Intermediate Similarity NPD4658 Approved
0.7282 Intermediate Similarity NPD3683 Approved
0.7282 Intermediate Similarity NPD3682 Approved
0.7263 Intermediate Similarity NPD1087 Approved
0.7245 Intermediate Similarity NPD159 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD1445 Approved
0.7238 Intermediate Similarity NPD1444 Approved
0.7232 Intermediate Similarity NPD3091 Approved
0.7232 Intermediate Similarity NPD2227 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD7741 Discontinued
0.7212 Intermediate Similarity NPD10 Approved
0.7212 Intermediate Similarity NPD311 Approved
0.7212 Intermediate Similarity NPD314 Approved
0.7212 Intermediate Similarity NPD310 Approved
0.7212 Intermediate Similarity NPD309 Approved
0.7212 Intermediate Similarity NPD315 Approved
0.7196 Intermediate Similarity NPD3022 Approved
0.7196 Intermediate Similarity NPD3021 Approved
0.7188 Intermediate Similarity NPD531 Approved
0.7182 Intermediate Similarity NPD2629 Approved
0.717 Intermediate Similarity NPD4095 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD2342 Discontinued
0.7168 Intermediate Similarity NPD1710 Approved
0.7157 Intermediate Similarity NPD2066 Phase 3
0.7143 Intermediate Similarity NPD1239 Approved
0.7115 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6647 Phase 2
0.7105 Intermediate Similarity NPD5126 Approved
0.7105 Intermediate Similarity NPD5125 Phase 3
0.7103 Intermediate Similarity NPD2684 Approved
0.7103 Intermediate Similarity NPD4717 Approved
0.7103 Intermediate Similarity NPD4718 Approved
0.7103 Intermediate Similarity NPD4720 Approved
0.7091 Intermediate Similarity NPD2229 Approved
0.7091 Intermediate Similarity NPD2234 Approved
0.7091 Intermediate Similarity NPD2228 Approved
0.7071 Intermediate Similarity NPD9251 Approved
0.7064 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1792 Phase 2
0.703 Intermediate Similarity NPD1989 Approved
0.7027 Intermediate Similarity NPD5951 Approved
0.7021 Intermediate Similarity NPD9491 Approved
0.7019 Intermediate Similarity NPD4719 Phase 2
0.7009 Intermediate Similarity NPD9532 Phase 3
0.7009 Intermediate Similarity NPD6406 Approved
0.6989 Remote Similarity NPD226 Approved
0.6983 Remote Similarity NPD3092 Approved
0.6972 Remote Similarity NPD4025 Clinical (unspecified phase)
0.6972 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6972 Remote Similarity NPD4253 Approved
0.6972 Remote Similarity NPD4254 Approved
0.697 Remote Similarity NPD530 Approved
0.6964 Remote Similarity NPD7157 Approved
0.6961 Remote Similarity NPD1564 Approved
0.6961 Remote Similarity NPD1565 Approved
0.6961 Remote Similarity NPD1566 Phase 3
0.6957 Remote Similarity NPD3095 Discontinued
0.6937 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6923 Remote Similarity NPD2549 Approved
0.6923 Remote Similarity NPD2550 Approved
0.6923 Remote Similarity NPD2555 Approved
0.6923 Remote Similarity NPD2552 Approved
0.6923 Remote Similarity NPD2553 Approved
0.6923 Remote Similarity NPD2558 Approved
0.6909 Remote Similarity NPD2499 Approved
0.6909 Remote Similarity NPD2500 Approved
0.6903 Remote Similarity NPD6775 Clinical (unspecified phase)
0.6903 Remote Similarity NPD7325 Clinical (unspecified phase)
0.69 Remote Similarity NPD752 Approved
0.6887 Remote Similarity NPD3048 Approved
0.6887 Remote Similarity NPD179 Clinical (unspecified phase)
0.6887 Remote Similarity NPD3046 Approved
0.6887 Remote Similarity NPD3047 Approved
0.6881 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6875 Remote Similarity NPD9614 Approved
0.6875 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6875 Remote Similarity NPD9618 Approved
0.6869 Remote Similarity NPD9258 Approved
0.6869 Remote Similarity NPD9256 Approved
0.6857 Remote Similarity NPD4189 Approved
0.6857 Remote Similarity NPD4188 Approved
0.6852 Remote Similarity NPD290 Approved
0.6847 Remote Similarity NPD7843 Approved
0.6842 Remote Similarity NPD3971 Phase 1
0.6838 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6838 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6832 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6832 Remote Similarity NPD720 Approved
0.6832 Remote Similarity NPD719 Approved
0.6822 Remote Similarity NPD5048 Discontinued
0.6814 Remote Similarity NPD6671 Approved
0.681 Remote Similarity NPD5306 Approved
0.681 Remote Similarity NPD4059 Approved
0.681 Remote Similarity NPD5305 Approved
0.681 Remote Similarity NPD4626 Approved
0.6792 Remote Similarity NPD5765 Approved
0.6789 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6768 Remote Similarity NPD9249 Phase 1
0.6768 Remote Similarity NPD5347 Phase 2
0.6768 Remote Similarity NPD5346 Phase 2
0.6765 Remote Similarity NPD688 Clinical (unspecified phase)
0.6762 Remote Similarity NPD3028 Approved
0.6762 Remote Similarity NPD1242 Phase 1
0.6759 Remote Similarity NPD6685 Approved
0.6759 Remote Similarity NPD968 Approved
0.6757 Remote Similarity NPD228 Approved
0.6752 Remote Similarity NPD4135 Approved
0.6752 Remote Similarity NPD4106 Approved
0.6752 Remote Similarity NPD4136 Approved
0.675 Remote Similarity NPD3094 Phase 2
0.6735 Remote Similarity NPD9538 Approved
0.6735 Remote Similarity NPD4793 Discontinued
0.6729 Remote Similarity NPD9608 Approved
0.6729 Remote Similarity NPD9610 Approved
0.6726 Remote Similarity NPD1793 Approved
0.6726 Remote Similarity NPD1791 Approved
0.6703 Remote Similarity NPD9716 Approved
0.67 Remote Similarity NPD3673 Approved
0.67 Remote Similarity NPD3672 Approved
0.6696 Remote Similarity NPD9613 Approved
0.6696 Remote Similarity NPD821 Approved
0.6696 Remote Similarity NPD9616 Approved
0.6696 Remote Similarity NPD16 Approved
0.6696 Remote Similarity NPD856 Approved
0.6696 Remote Similarity NPD9615 Approved
0.6695 Remote Similarity NPD4807 Approved
0.6695 Remote Similarity NPD4806 Approved
0.6694 Remote Similarity NPD7715 Approved
0.6694 Remote Similarity NPD7714 Approved
0.6694 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9712 Approved
0.6667 Remote Similarity NPD227 Approved
0.6667 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6667 Remote Similarity NPD225 Approved
0.6667 Remote Similarity NPD2667 Approved
0.6667 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1563 Approved
0.6667 Remote Similarity NPD2668 Approved
0.6667 Remote Similarity NPD2932 Approved
0.6667 Remote Similarity NPD3019 Approved
0.6667 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1066 Discontinued
0.6639 Remote Similarity NPD2233 Approved
0.6639 Remote Similarity NPD2230 Approved
0.6639 Remote Similarity NPD2232 Approved
0.6638 Remote Similarity NPD316 Approved
0.6636 Remote Similarity NPD1415 Approved
0.6636 Remote Similarity NPD1930 Approved
0.6636 Remote Similarity NPD1929 Approved
0.6636 Remote Similarity NPD9500 Approved
0.6636 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6410 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11218565
ChEMBL   CHEMBL456729
ZINC  

Physicochemical Properties

Molecular Weight:  234.16
ALogP:  1.313
MLogP:  2.89
XLogP:  3.444
# Rotatable Bonds:  10
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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