Natural Product: NPC471200

Natural Product ID:  NPC471200
Common Name:   5,6-Dihydroxybisabolol
IUPAC Name:   (6R)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]heptane-2,3,6-triol
Synonyms:  
Molecular Formula:   C15H28O3
Standard InCHIKey:  VJRDDDSFQNYGBK-RMTCENKZSA-N
Standard InCHI:  InChI=1S/C15H28O3/c1-11-5-7-12(8-6-11)15(4,18)10-9-13(16)14(2,3)17/h5,12-13,16-18H,6-10H2,1-4H3/t12-,13?,15+/m0/s1
Canonical SMILES:  CC1=CC[C@@H](CC1)[C@@](CCC(C(O)(C)C)O)(O)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
NPO32505 Clonostachys sp. Under-species NA NA PMID[23806109]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 118 ug/ml 15787442
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC > 118 ug/ml 20797856
NPT21 Organism Aspergillus niger Aspergillus niger MIC > 118 ug/ml 20801038
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 118 ug/ml 15787431
NPT20 Organism Candida albicans Candida albicans MIC > 118 ug/ml 15787431
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 118 ug/ml 26186257
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 118 ug/ml 17060532
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 118 ug/ml 16989518
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 118 ug/ml 21970540
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 118 ug/ml 24387703
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 118 ug/ml 17253859

  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 NPC471200 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
0.8769 High Similarity NPC82337
0.8615 High Similarity NPC267027
0.8413 Intermediate Similarity NPC66020
0.8333 Intermediate Similarity NPC326310
0.8333 Intermediate Similarity NPC311736
0.8281 Intermediate Similarity NPC207007
0.8281 Intermediate Similarity NPC321867
0.8281 Intermediate Similarity NPC68679
0.8261 Intermediate Similarity NPC242992
0.8209 Intermediate Similarity NPC163290
0.8194 Intermediate Similarity NPC130136
0.8182 Intermediate Similarity NPC61503
0.8143 Intermediate Similarity NPC476709
0.8116 Intermediate Similarity NPC471781
0.803 Intermediate Similarity NPC300593
0.8028 Intermediate Similarity NPC190859
0.8 Intermediate Similarity NPC164022
0.8 Intermediate Similarity NPC35519
0.8 Intermediate Similarity NPC181255
0.8 Intermediate Similarity NPC306195
0.8 Intermediate Similarity NPC157781
0.8 Intermediate Similarity NPC475251
0.8 Intermediate Similarity NPC179169
0.8 Intermediate Similarity NPC23954
0.7879 Intermediate Similarity NPC473508
0.7857 Intermediate Similarity NPC92801
0.7857 Intermediate Similarity NPC470041
0.7846 Intermediate Similarity NPC240506
0.7838 Intermediate Similarity NPC477089
0.7833 Intermediate Similarity NPC26906
0.7833 Intermediate Similarity NPC214584
0.7808 Intermediate Similarity NPC170148
0.7794 Intermediate Similarity NPC202017
0.7746 Intermediate Similarity NPC41886
0.7727 Intermediate Similarity NPC63111
0.7714 Intermediate Similarity NPC471560
0.7714 Intermediate Similarity NPC473893
0.7714 Intermediate Similarity NPC16964
0.7703 Intermediate Similarity NPC40049
0.7703 Intermediate Similarity NPC476703
0.7692 Intermediate Similarity NPC83702
0.7681 Intermediate Similarity NPC73603
0.7671 Intermediate Similarity NPC12696
0.7656 Intermediate Similarity NPC52012
0.7639 Intermediate Similarity NPC265485
0.7639 Intermediate Similarity NPC220939
0.7639 Intermediate Similarity NPC474140
0.7639 Intermediate Similarity NPC95165
0.7632 Intermediate Similarity NPC100697
0.7632 Intermediate Similarity NPC287749
0.7619 Intermediate Similarity NPC148163
0.7619 Intermediate Similarity NPC148216
0.7619 Intermediate Similarity NPC281590
0.7619 Intermediate Similarity NPC130209
0.7619 Intermediate Similarity NPC227135
0.7606 Intermediate Similarity NPC34834
0.76 Intermediate Similarity NPC475980
0.7576 Intermediate Similarity NPC99487
0.7571 Intermediate Similarity NPC96484
0.7571 Intermediate Similarity NPC208999
0.7568 Intermediate Similarity NPC477925
0.7568 Intermediate Similarity NPC274079
0.7568 Intermediate Similarity NPC126969
0.7536 Intermediate Similarity NPC250977
0.75 Intermediate Similarity NPC476701
0.75 Intermediate Similarity NPC290367
0.75 Intermediate Similarity NPC328714
0.75 Intermediate Similarity NPC255143
0.75 Intermediate Similarity NPC24443
0.75 Intermediate Similarity NPC225415
0.75 Intermediate Similarity NPC167706
0.7467 Intermediate Similarity NPC471798
0.7465 Intermediate Similarity NPC74722
0.7465 Intermediate Similarity NPC234511
0.7465 Intermediate Similarity NPC304690
0.7465 Intermediate Similarity NPC474248
0.7463 Intermediate Similarity NPC282694
0.7463 Intermediate Similarity NPC194208
0.7463 Intermediate Similarity NPC225342
0.7463 Intermediate Similarity NPC79576
0.7432 Intermediate Similarity NPC66566
0.7432 Intermediate Similarity NPC477923
0.7432 Intermediate Similarity NPC32832
0.7432 Intermediate Similarity NPC114236
0.7429 Intermediate Similarity NPC269077
0.7429 Intermediate Similarity NPC476650
0.7429 Intermediate Similarity NPC114651
0.7429 Intermediate Similarity NPC472253
0.7429 Intermediate Similarity NPC472255
0.7429 Intermediate Similarity NPC253303
0.7429 Intermediate Similarity NPC259299
0.7424 Intermediate Similarity NPC122239
0.7424 Intermediate Similarity NPC475931
0.7419 Intermediate Similarity NPC71506
0.7419 Intermediate Similarity NPC177112
0.7407 Intermediate Similarity NPC189777
0.7403 Intermediate Similarity NPC471266
0.7403 Intermediate Similarity NPC95124
0.7397 Intermediate Similarity NPC130665
0.7397 Intermediate Similarity NPC471799
0.7391 Intermediate Similarity NPC205618
0.7391 Intermediate Similarity NPC469326
0.7391 Intermediate Similarity NPC261782
0.7375 Intermediate Similarity NPC290731
0.7368 Intermediate Similarity NPC13823
0.7368 Intermediate Similarity NPC167891
0.7368 Intermediate Similarity NPC83351
0.7368 Intermediate Similarity NPC87604
0.7368 Intermediate Similarity NPC68119
0.7353 Intermediate Similarity NPC174956
0.7353 Intermediate Similarity NPC211291
0.7353 Intermediate Similarity NPC133368
0.7344 Intermediate Similarity NPC84824
0.7344 Intermediate Similarity NPC232247
0.7344 Intermediate Similarity NPC251666
0.7344 Intermediate Similarity NPC67508
0.7342 Intermediate Similarity NPC185605
0.7333 Intermediate Similarity NPC315261
0.7333 Intermediate Similarity NPC236228
0.7333 Intermediate Similarity NPC256720
0.7333 Intermediate Similarity NPC253190
0.7333 Intermediate Similarity NPC265588
0.7324 Intermediate Similarity NPC471238
0.7324 Intermediate Similarity NPC305698
0.7324 Intermediate Similarity NPC245795
0.7324 Intermediate Similarity NPC244790
0.7324 Intermediate Similarity NPC266578
0.7317 Intermediate Similarity NPC309656
0.7317 Intermediate Similarity NPC133588
0.7317 Intermediate Similarity NPC474668
0.7313 Intermediate Similarity NPC135648
0.7308 Intermediate Similarity NPC471270
0.7308 Intermediate Similarity NPC476646
0.7297 Intermediate Similarity NPC471797
0.7297 Intermediate Similarity NPC306727
0.7286 Intermediate Similarity NPC272125
0.7284 Intermediate Similarity NPC237344
0.7284 Intermediate Similarity NPC94462
0.7273 Intermediate Similarity NPC155025
0.7273 Intermediate Similarity NPC226848
0.7273 Intermediate Similarity NPC475830
0.726 Intermediate Similarity NPC469343
0.726 Intermediate Similarity NPC471271
0.726 Intermediate Similarity NPC471272
0.726 Intermediate Similarity NPC471268
0.726 Intermediate Similarity NPC306085
0.726 Intermediate Similarity NPC242001
0.7246 Intermediate Similarity NPC101128
0.7246 Intermediate Similarity NPC107540
0.7246 Intermediate Similarity NPC309300
0.7246 Intermediate Similarity NPC96793
0.7246 Intermediate Similarity NPC323424
0.7237 Intermediate Similarity NPC155986
0.7237 Intermediate Similarity NPC477426
0.7237 Intermediate Similarity NPC477427
0.7237 Intermediate Similarity NPC318495
0.7237 Intermediate Similarity NPC477425
0.7237 Intermediate Similarity NPC198968
0.7237 Intermediate Similarity NPC325946
0.7237 Intermediate Similarity NPC474826
0.7237 Intermediate Similarity NPC477924
0.7231 Intermediate Similarity NPC179024
0.7229 Intermediate Similarity NPC49783
0.7229 Intermediate Similarity NPC470361
0.7222 Intermediate Similarity NPC239373
0.7222 Intermediate Similarity NPC144647
0.7222 Intermediate Similarity NPC329989
0.7215 Intermediate Similarity NPC30166
0.7215 Intermediate Similarity NPC470614
0.7215 Intermediate Similarity NPC1272
0.7215 Intermediate Similarity NPC20072
0.72 Intermediate Similarity NPC319090
0.72 Intermediate Similarity NPC133580
0.72 Intermediate Similarity NPC291503
0.72 Intermediate Similarity NPC328104
0.72 Intermediate Similarity NPC23231
0.72 Intermediate Similarity NPC60818
0.7183 Intermediate Similarity NPC136813
0.7183 Intermediate Similarity NPC185874
0.7183 Intermediate Similarity NPC171225
0.7183 Intermediate Similarity NPC477791
0.7183 Intermediate Similarity NPC139207
0.7183 Intermediate Similarity NPC197805
0.7179 Intermediate Similarity NPC26117
0.7179 Intermediate Similarity NPC13554
0.7179 Intermediate Similarity NPC96362
0.7179 Intermediate Similarity NPC474592
0.7179 Intermediate Similarity NPC236112
0.7179 Intermediate Similarity NPC236707
0.7164 Intermediate Similarity NPC278202
0.7162 Intermediate Similarity NPC68443
0.7162 Intermediate Similarity NPC259049
0.7162 Intermediate Similarity NPC143576
0.7162 Intermediate Similarity NPC182717
0.7143 Intermediate Similarity NPC300442
0.7143 Intermediate Similarity NPC11555
0.7143 Intermediate Similarity NPC291484
0.7143 Intermediate Similarity NPC80561
0.7143 Intermediate Similarity NPC238352
0.7143 Intermediate Similarity NPC477009

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471200 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
0.8281 Intermediate Similarity NPD368 Approved
0.7619 Intermediate Similarity NPD342 Phase 1
0.7333 Intermediate Similarity NPD6933 Approved
0.7105 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD6924 Approved
0.7067 Intermediate Similarity NPD6926 Approved
0.6974 Remote Similarity NPD6942 Approved
0.6974 Remote Similarity NPD7339 Approved
0.6962 Remote Similarity NPD6931 Approved
0.6962 Remote Similarity NPD6930 Phase 2
0.6962 Remote Similarity NPD7525 Registered
0.6835 Remote Similarity NPD6929 Approved
0.6835 Remote Similarity NPD7645 Phase 2
0.6829 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6795 Remote Similarity NPD6932 Approved
0.6786 Remote Similarity NPD7524 Approved
0.6786 Remote Similarity NPD4751 Clinical (unspecified phase)
0.675 Remote Similarity NPD7509 Discontinued
0.6707 Remote Similarity NPD6695 Phase 3
0.6625 Remote Similarity NPD6683 Phase 2
0.6585 Remote Similarity NPD3667 Approved
0.6582 Remote Similarity NPD6925 Approved
0.6582 Remote Similarity NPD5776 Phase 2
0.6579 Remote Similarity NPD4243 Approved
0.6548 Remote Similarity NPD6893 Approved
0.6543 Remote Similarity NPD7332 Phase 2
0.6543 Remote Similarity NPD7514 Phase 3
0.6538 Remote Similarity NPD8264 Approved
0.6533 Remote Similarity NPD6922 Approved
0.6533 Remote Similarity NPD6923 Approved
0.6528 Remote Similarity NPD371 Approved
0.65 Remote Similarity NPD7145 Approved
0.6463 Remote Similarity NPD6898 Phase 1
0.6452 Remote Similarity NPD386 Approved
0.6452 Remote Similarity NPD388 Approved
0.6447 Remote Similarity NPD7143 Approved
0.6447 Remote Similarity NPD7144 Approved
0.6429 Remote Similarity NPD4786 Approved
0.6429 Remote Similarity NPD3666 Approved
0.6429 Remote Similarity NPD3665 Phase 1
0.6429 Remote Similarity NPD3133 Approved
0.641 Remote Similarity NPD4784 Approved
0.641 Remote Similarity NPD4785 Approved
0.6395 Remote Similarity NPD7750 Discontinued
0.6364 Remote Similarity NPD7150 Approved
0.6364 Remote Similarity NPD7151 Approved
0.6364 Remote Similarity NPD7152 Approved
0.6351 Remote Similarity NPD7331 Phase 2
0.6349 Remote Similarity NPD385 Approved
0.6349 Remote Similarity NPD384 Approved
0.6341 Remote Similarity NPD4748 Discontinued
0.6338 Remote Similarity NPD1145 Discontinued
0.6329 Remote Similarity NPD5275 Approved
0.6329 Remote Similarity NPD4190 Phase 3
0.6296 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6282 Remote Similarity NPD4732 Discontinued
0.6279 Remote Similarity NPD3618 Phase 1
0.6265 Remote Similarity NPD6902 Approved
0.6222 Remote Similarity NPD4202 Approved
0.622 Remote Similarity NPD4195 Approved
0.6216 Remote Similarity NPD7341 Phase 2
0.618 Remote Similarity NPD6698 Approved
0.618 Remote Similarity NPD3168 Discontinued
0.618 Remote Similarity NPD46 Approved
0.618 Remote Similarity NPD7838 Discovery
0.6145 Remote Similarity NPD4821 Approved
0.6145 Remote Similarity NPD4820 Approved
0.6145 Remote Similarity NPD4819 Approved
0.6145 Remote Similarity NPD4822 Approved
0.6118 Remote Similarity NPD6110 Phase 1
0.6111 Remote Similarity NPD7087 Discontinued
0.6105 Remote Similarity NPD5344 Discontinued
0.6092 Remote Similarity NPD5279 Phase 3
0.6067 Remote Similarity NPD5328 Approved
0.6067 Remote Similarity NPD4753 Phase 2
0.6044 Remote Similarity NPD5778 Approved
0.6044 Remote Similarity NPD5779 Approved
0.6 Remote Similarity NPD4219 Approved
0.6 Remote Similarity NPD4221 Approved
0.6 Remote Similarity NPD4223 Phase 3
0.5978 Remote Similarity NPD5282 Discontinued
0.596 Remote Similarity NPD6412 Phase 2
0.5957 Remote Similarity NPD4755 Approved
0.5952 Remote Similarity NPD5368 Approved
0.5941 Remote Similarity NPD4634 Approved
0.5934 Remote Similarity NPD7983 Approved
0.5934 Remote Similarity NPD7515 Phase 2
0.5934 Remote Similarity NPD6079 Approved
0.5904 Remote Similarity NPD4271 Approved
0.5904 Remote Similarity NPD4268 Approved
0.5889 Remote Similarity NPD6101 Approved
0.5889 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5882 Remote Similarity NPD5369 Approved
0.587 Remote Similarity NPD6399 Phase 3
0.5867 Remote Similarity NPD3197 Phase 1
0.5862 Remote Similarity NPD4197 Approved
0.5862 Remote Similarity NPD3668 Phase 3
0.5833 Remote Similarity NPD5285 Approved
0.5833 Remote Similarity NPD4700 Approved
0.5833 Remote Similarity NPD5286 Approved
0.5833 Remote Similarity NPD4696 Approved
0.5814 Remote Similarity NPD6435 Approved
0.5795 Remote Similarity NPD1696 Phase 3
0.5795 Remote Similarity NPD5329 Approved
0.5795 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5789 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5773 Remote Similarity NPD5223 Approved
0.5769 Remote Similarity NPD4632 Approved
0.5765 Remote Similarity NPD4695 Discontinued
0.5765 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5761 Remote Similarity NPD6411 Approved
0.5747 Remote Similarity NPD5362 Discontinued
0.5747 Remote Similarity NPD5331 Approved
0.5747 Remote Similarity NPD5332 Approved
0.5745 Remote Similarity NPD5210 Approved
0.5745 Remote Similarity NPD4629 Approved
0.573 Remote Similarity NPD5690 Phase 2
0.573 Remote Similarity NPD4689 Approved
0.573 Remote Similarity NPD4519 Discontinued
0.573 Remote Similarity NPD5205 Approved
0.573 Remote Similarity NPD4690 Approved
0.573 Remote Similarity NPD4688 Approved
0.573 Remote Similarity NPD4138 Approved
0.573 Remote Similarity NPD4694 Approved
0.573 Remote Similarity NPD4693 Phase 3
0.573 Remote Similarity NPD4249 Approved
0.573 Remote Similarity NPD5280 Approved
0.573 Remote Similarity NPD4623 Approved
0.5729 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5729 Remote Similarity NPD7638 Approved
0.5714 Remote Similarity NPD4633 Approved
0.5714 Remote Similarity NPD5225 Approved
0.5714 Remote Similarity NPD5224 Approved
0.5714 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5226 Approved
0.5714 Remote Similarity NPD5211 Phase 2
0.5698 Remote Similarity NPD4790 Discontinued
0.5696 Remote Similarity NPD15 Approved
0.5696 Remote Similarity NPD791 Approved
0.5692 Remote Similarity NPD4265 Approved
0.5684 Remote Similarity NPD5221 Approved
0.5684 Remote Similarity NPD5222 Approved
0.5684 Remote Similarity NPD4697 Phase 3
0.5684 Remote Similarity NPD5220 Clinical (unspecified phase)
0.567 Remote Similarity NPD7640 Approved
0.567 Remote Similarity NPD7639 Approved
0.567 Remote Similarity NPD6648 Approved
0.5667 Remote Similarity NPD4250 Approved
0.5667 Remote Similarity NPD4251 Approved
0.5667 Remote Similarity NPD319 Phase 1
0.5663 Remote Similarity NPD1346 Approved
0.5657 Remote Similarity NPD5175 Approved
0.5657 Remote Similarity NPD5174 Approved
0.5657 Remote Similarity NPD4754 Approved
0.5652 Remote Similarity NPD7136 Phase 2
0.5638 Remote Similarity NPD7748 Approved
0.5632 Remote Similarity NPD4269 Approved
0.5632 Remote Similarity NPD4270 Approved
0.5625 Remote Similarity NPD7902 Approved
0.5625 Remote Similarity NPD6083 Phase 2
0.5625 Remote Similarity NPD5173 Approved
0.5625 Remote Similarity NPD6084 Phase 2
0.5604 Remote Similarity NPD4723 Approved
0.5604 Remote Similarity NPD4722 Approved
0.56 Remote Similarity NPD5141 Approved

Structure

External Identifiers

PubChem CID   73354957
ChEMBL   CHEMBL2386695
ZINC  

Physicochemical Properties

Molecular Weight:  256.20
ALogP:  0.2735
MLogP:  2.78
XLogP:  2.158
# Rotatable Bonds:  12
Polar Surface Area:  60.69
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  18

Download Data

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