Natural Product: NPC7491

Natural Product ID:  NPC7491
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H24O
Standard InCHIKey:  NVEQFIOZRFFVFW-SFDCQRBFSA-N
Standard InCHI:  InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
Canonical SMILES:  C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@H]1CC2(C)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
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TM-MC*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO17755 Inula helenium Species Asteraceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota TM-MC*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO22258 Chrysanthemum indicum Species Asteraceae Eukaryota TM-MC*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota TM-MC*
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota TM-MC*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO29110 Litsea cubeba Species Lauraceae Eukaryota TM-MC*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO14650 Lobelia chinensis Species Campanulaceae Eukaryota TM-MC*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO25682 Acorus calamus Species Acoraceae Eukaryota TM-MC*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO11791 Magnolia obovata Species Magnoliaceae Eukaryota TM-MC*
NPO26351 Agastache rugosa Species Lamiaceae Eukaryota TM-MC*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO4368 Magnolia officinalis Species Magnoliaceae Eukaryota TM-MC*
NPO18007 Agrimonia pilosa Species Rosaceae Eukaryota TM-MC*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TM-MC*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO22715 Alpinia oxyphylla Species Zingiberaceae Eukaryota TM-MC*
NPO4460 Vincetoxicum glaucescens Species Apocynaceae Eukaryota TM-MC*
NPO18046 Mosla chinensis Species Lamiaceae Eukaryota TM-MC*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO2761 Cynanchum stauntoni Species Apocynaceae Eukaryota TM-MC*
NPO12182 Murraya exotica Species Rutaceae Eukaryota TM-MC*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO10366 Vincetoxicum stauntonii Species Apocynaceae Eukaryota TM-MC*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO22796 Cyperus rotundus Species Cyperaceae Eukaryota TM-MC*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO12265 Aquilaria agallochum Species Thymelaeaceae Eukaryota TM-MC*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota TM-MC*
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota TM-MC*
NPO21355 Elsholtzia ciliata Species Lamiaceae Eukaryota TM-MC*
NPO11169 Piper cubeba Species Piperaceae Eukaryota TM-MC*
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota TM-MC*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TM-MC*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO26589 Artemisia annua Species Asteraceae Eukaryota TM-MC*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO10506 Artemisia apiacea Species Asteraceae Eukaryota TM-MC*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO8789 Schizonepeta tenuifolia Species Lamiaceae Eukaryota TM-MC*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO1880 Schizonepeta tenuisfolia Species Lamiaceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO16039 Scutellaria barbata Species Lamiaceae Eukaryota TM-MC*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota TM-MC*
NPO29016 Valeriana jatamansi Species Caprifoliaceae Eukaryota TM-MC*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TM-MC*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO10391 Dolomiaea souliei Species Asteraceae Eukaryota TM-MC*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TM-MC*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set

  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 NPC7491 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
1.0 High Similarity NPC27853
1.0 High Similarity NPC65786
1.0 High Similarity NPC13789
1.0 High Similarity NPC101285
0.8548 High Similarity NPC33583
0.8548 High Similarity NPC161612
0.85 High Similarity NPC50435
0.807 Intermediate Similarity NPC286752
0.791 Intermediate Similarity NPC329763
0.7797 Intermediate Similarity NPC210316
0.7778 Intermediate Similarity NPC287744
0.7778 Intermediate Similarity NPC140233
0.7681 Intermediate Similarity NPC474419
0.7627 Intermediate Similarity NPC223604
0.7586 Intermediate Similarity NPC165755
0.7246 Intermediate Similarity NPC40327
0.7077 Intermediate Similarity NPC474155
0.7077 Intermediate Similarity NPC473759
0.7049 Intermediate Similarity NPC300189
0.7015 Intermediate Similarity NPC469328
0.6974 Remote Similarity NPC145963
0.6923 Remote Similarity NPC253204
0.6901 Remote Similarity NPC92909
0.6901 Remote Similarity NPC107783
0.6818 Remote Similarity NPC283247
0.6806 Remote Similarity NPC167049
0.6806 Remote Similarity NPC469691
0.678 Remote Similarity NPC142103
0.6769 Remote Similarity NPC40206
0.6769 Remote Similarity NPC162109
0.6765 Remote Similarity NPC473929
0.6765 Remote Similarity NPC475897
0.6765 Remote Similarity NPC327815
0.6719 Remote Similarity NPC240206
0.6716 Remote Similarity NPC219940
0.6716 Remote Similarity NPC101128
0.6712 Remote Similarity NPC475771
0.6712 Remote Similarity NPC469669
0.6712 Remote Similarity NPC469678
0.6712 Remote Similarity NPC475861
0.6667 Remote Similarity NPC474477
0.6667 Remote Similarity NPC251335
0.6667 Remote Similarity NPC15152
0.6667 Remote Similarity NPC228574
0.6667 Remote Similarity NPC87439
0.6667 Remote Similarity NPC39068
0.6667 Remote Similarity NPC294304
0.6667 Remote Similarity NPC264779
0.6622 Remote Similarity NPC226242
0.6622 Remote Similarity NPC476607
0.6618 Remote Similarity NPC61503
0.6615 Remote Similarity NPC83838
0.6615 Remote Similarity NPC184049
0.6615 Remote Similarity NPC143810
0.6615 Remote Similarity NPC99480
0.6533 Remote Similarity NPC186109
0.6533 Remote Similarity NPC471454
0.6515 Remote Similarity NPC127824
0.6508 Remote Similarity NPC67508
0.6508 Remote Similarity NPC84824
0.6479 Remote Similarity NPC329656
0.6479 Remote Similarity NPC239373
0.6479 Remote Similarity NPC74722
0.6479 Remote Similarity NPC329989
0.6479 Remote Similarity NPC304690
0.6479 Remote Similarity NPC22301
0.6479 Remote Similarity NPC474248
0.6471 Remote Similarity NPC68656
0.6471 Remote Similarity NPC144650
0.6471 Remote Similarity NPC309300
0.6471 Remote Similarity NPC225415
0.6462 Remote Similarity NPC474769
0.6462 Remote Similarity NPC189290
0.6452 Remote Similarity NPC161473
0.6447 Remote Similarity NPC474005
0.6447 Remote Similarity NPC207186
0.6438 Remote Similarity NPC470237
0.6438 Remote Similarity NPC476709
0.6429 Remote Similarity NPC269077
0.6429 Remote Similarity NPC185874
0.6429 Remote Similarity NPC139207
0.6429 Remote Similarity NPC253303
0.6429 Remote Similarity NPC259299
0.6406 Remote Similarity NPC24443
0.64 Remote Similarity NPC472472
0.64 Remote Similarity NPC268111
0.6393 Remote Similarity NPC474331
0.6377 Remote Similarity NPC172613
0.6377 Remote Similarity NPC60837
0.6377 Remote Similarity NPC238352
0.6377 Remote Similarity NPC477009
0.6377 Remote Similarity NPC2728
0.6377 Remote Similarity NPC474768
0.6377 Remote Similarity NPC208198
0.6377 Remote Similarity NPC282619
0.6377 Remote Similarity NPC11555
0.6377 Remote Similarity NPC300442
0.6377 Remote Similarity NPC258595
0.6364 Remote Similarity NPC5698
0.6351 Remote Similarity NPC190859
0.6351 Remote Similarity NPC71152
0.6338 Remote Similarity NPC245795
0.6338 Remote Similarity NPC276616
0.6338 Remote Similarity NPC305698
0.6338 Remote Similarity NPC244790
0.6286 Remote Similarity NPC476406
0.6282 Remote Similarity NPC304795
0.6282 Remote Similarity NPC475946
0.6269 Remote Similarity NPC135648
0.6269 Remote Similarity NPC323153
0.6267 Remote Similarity NPC93213
0.6267 Remote Similarity NPC113639
0.625 Remote Similarity NPC477448
0.625 Remote Similarity NPC477449
0.625 Remote Similarity NPC9942
0.625 Remote Similarity NPC269841
0.6234 Remote Similarity NPC475980
0.6234 Remote Similarity NPC474056
0.6232 Remote Similarity NPC107540
0.6232 Remote Similarity NPC469723
0.6232 Remote Similarity NPC290367
0.6232 Remote Similarity NPC300593
0.6212 Remote Similarity NPC475830
0.6212 Remote Similarity NPC10017
0.6203 Remote Similarity NPC478262
0.6203 Remote Similarity NPC472471
0.6197 Remote Similarity NPC469868
0.6197 Remote Similarity NPC477791
0.6197 Remote Similarity NPC74885
0.6197 Remote Similarity NPC308522
0.6197 Remote Similarity NPC136813
0.6197 Remote Similarity NPC171225
0.6184 Remote Similarity NPC310643
0.6184 Remote Similarity NPC471726
0.6184 Remote Similarity NPC474527
0.6184 Remote Similarity NPC470766
0.6184 Remote Similarity NPC170148
0.6176 Remote Similarity NPC41160
0.6176 Remote Similarity NPC147524
0.6176 Remote Similarity NPC225342
0.6176 Remote Similarity NPC475251
0.6167 Remote Similarity NPC100445
0.6164 Remote Similarity NPC283316
0.6164 Remote Similarity NPC133873
0.6164 Remote Similarity NPC475310
0.6154 Remote Similarity NPC325869
0.6154 Remote Similarity NPC179024
0.6143 Remote Similarity NPC19569
0.6143 Remote Similarity NPC471200
0.6133 Remote Similarity NPC475517
0.6133 Remote Similarity NPC471525
0.6133 Remote Similarity NPC227814
0.6133 Remote Similarity NPC474524
0.6133 Remote Similarity NPC144995
0.6125 Remote Similarity NPC471159
0.6125 Remote Similarity NPC475936
0.6125 Remote Similarity NPC123880
0.6111 Remote Similarity NPC476945
0.6111 Remote Similarity NPC96484
0.6111 Remote Similarity NPC208999
0.6111 Remote Similarity NPC139785
0.6111 Remote Similarity NPC167527
0.6104 Remote Similarity NPC476703
0.6104 Remote Similarity NPC283619
0.6104 Remote Similarity NPC470750
0.6104 Remote Similarity NPC470751
0.6104 Remote Similarity NPC211279
0.6087 Remote Similarity NPC133368
0.6087 Remote Similarity NPC211291
0.6081 Remote Similarity NPC471662
0.6081 Remote Similarity NPC167706
0.6081 Remote Similarity NPC477084
0.6081 Remote Similarity NPC164022
0.6076 Remote Similarity NPC472470
0.6071 Remote Similarity NPC78551
0.6071 Remote Similarity NPC227632
0.6071 Remote Similarity NPC62086
0.6061 Remote Similarity NPC278550
0.6056 Remote Similarity NPC267027
0.6053 Remote Similarity NPC12696
0.6053 Remote Similarity NPC36479
0.6049 Remote Similarity NPC475842
0.6049 Remote Similarity NPC53867
0.6049 Remote Similarity NPC260852
0.6049 Remote Similarity NPC475622
0.6049 Remote Similarity NPC108045
0.6034 Remote Similarity NPC109813
0.6034 Remote Similarity NPC60556
0.6034 Remote Similarity NPC15162
0.6032 Remote Similarity NPC306195
0.6032 Remote Similarity NPC157781
0.6032 Remote Similarity NPC35519
0.6032 Remote Similarity NPC179169
0.6032 Remote Similarity NPC181255
0.6029 Remote Similarity NPC475412
0.6029 Remote Similarity NPC66020
0.6029 Remote Similarity NPC252809
0.6027 Remote Similarity NPC261398
0.6027 Remote Similarity NPC471560
0.6027 Remote Similarity NPC5714

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC7491 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
0.661 Remote Similarity NPD9410 Clinical (unspecified phase)
0.6515 Remote Similarity NPD1145 Discontinued
0.6143 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5921 Remote Similarity NPD6924 Approved
0.5921 Remote Similarity NPD6926 Approved
0.5769 Remote Similarity NPD6933 Approved
0.5763 Remote Similarity NPD367 Approved
0.5714 Remote Similarity NPD368 Approved
0.5663 Remote Similarity NPD6695 Phase 3
0.5641 Remote Similarity NPD7339 Approved
0.5641 Remote Similarity NPD6942 Approved
0.56 Remote Similarity NPD6922 Approved
0.56 Remote Similarity NPD6923 Approved

Structure

External Identifiers

PubChem CID   6604672
ChEMBL   CHEMBL1513806
ZINC  

Physicochemical Properties

Molecular Weight:  220.18
ALogP:  1.9144
MLogP:  3
XLogP:  4.607
# Rotatable Bonds:  3
Polar Surface Area:  12.53
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  16

Download Data

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