Natural Product: NPC171225

Natural Product ID:  NPC171225
Common Name:   Ylangenol
IUPAC Name:  
Synonyms:   ylangenol
Molecular Formula:   C15H24O
Standard InCHIKey:  JIXPRNKLOIEGFI-JIPNABBHSA-N
Standard InCHI:  InChI=1S/C15H24O/c1-9(2)11-6-7-15(3)12-5-4-10(8-16)14(15)13(11)12/h4,9,11-14,16H,5-8H2,1-3H3/t11-,12+,13+,14?,15?/m0/s1
Canonical SMILES:  OCC1=CC[C@@H]2[C@@H]3C1C2(C)CC[C@H]3C(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
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT878 Organism Streptococcus mutans Streptococcus mutans MIC = 25 ug/ml 1919588
NPT2539 Organism Corynebacterium ammoniagenes Corynebacterium ammoniagenes MIC = 25 ug/ml 1919588

  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 NPC171225 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
0.9688 High Similarity NPC474248
0.9516 High Similarity NPC107540
0.8955 High Similarity NPC34834
0.8939 High Similarity NPC96484
0.8923 High Similarity NPC202017
0.8788 High Similarity NPC68703
0.8788 High Similarity NPC69649
0.8615 High Similarity NPC323424
0.8615 High Similarity NPC96793
0.8529 High Similarity NPC471560
0.8507 High Similarity NPC114651
0.8507 High Similarity NPC197805
0.8462 Intermediate Similarity NPC81615
0.8462 Intermediate Similarity NPC174956
0.8429 Intermediate Similarity NPC474743
0.8382 Intermediate Similarity NPC208999
0.8382 Intermediate Similarity NPC216460
0.8358 Intermediate Similarity NPC476039
0.8358 Intermediate Similarity NPC286669
0.8358 Intermediate Similarity NPC475897
0.8358 Intermediate Similarity NPC279434
0.8358 Intermediate Similarity NPC222366
0.8333 Intermediate Similarity NPC244488
0.8333 Intermediate Similarity NPC247325
0.831 Intermediate Similarity NPC201048
0.831 Intermediate Similarity NPC476366
0.8286 Intermediate Similarity NPC23954
0.8261 Intermediate Similarity NPC473893
0.8226 Intermediate Similarity NPC148163
0.8226 Intermediate Similarity NPC130209
0.8226 Intermediate Similarity NPC148216
0.8219 Intermediate Similarity NPC91594
0.8209 Intermediate Similarity NPC163678
0.8194 Intermediate Similarity NPC32832
0.8182 Intermediate Similarity NPC473759
0.8182 Intermediate Similarity NPC474155
0.8169 Intermediate Similarity NPC265485
0.8169 Intermediate Similarity NPC220939
0.8154 Intermediate Similarity NPC66020
0.8143 Intermediate Similarity NPC92801
0.8116 Intermediate Similarity NPC160209
0.8116 Intermediate Similarity NPC471238
0.8116 Intermediate Similarity NPC32055
0.8108 Intermediate Similarity NPC83351
0.8108 Intermediate Similarity NPC167891
0.8088 Intermediate Similarity NPC149680
0.8082 Intermediate Similarity NPC253190
0.8082 Intermediate Similarity NPC265588
0.8082 Intermediate Similarity NPC470749
0.806 Intermediate Similarity NPC68656
0.8056 Intermediate Similarity NPC306727
0.8028 Intermediate Similarity NPC164022
0.8028 Intermediate Similarity NPC477792
0.8 Intermediate Similarity NPC47982
0.8 Intermediate Similarity NPC109546
0.8 Intermediate Similarity NPC81306
0.8 Intermediate Similarity NPC30986
0.8 Intermediate Similarity NPC209430
0.8 Intermediate Similarity NPC84694
0.8 Intermediate Similarity NPC28862
0.8 Intermediate Similarity NPC143182
0.7973 Intermediate Similarity NPC470758
0.7973 Intermediate Similarity NPC74995
0.7973 Intermediate Similarity NPC470711
0.7969 Intermediate Similarity NPC11130
0.7945 Intermediate Similarity NPC133580
0.7941 Intermediate Similarity NPC258595
0.7917 Intermediate Similarity NPC182717
0.7917 Intermediate Similarity NPC130665
0.7917 Intermediate Similarity NPC471799
0.7917 Intermediate Similarity NPC474140
0.7895 Intermediate Similarity NPC295131
0.7895 Intermediate Similarity NPC234193
0.7887 Intermediate Similarity NPC145498
0.7879 Intermediate Similarity NPC240506
0.7867 Intermediate Similarity NPC476314
0.7867 Intermediate Similarity NPC474216
0.7857 Intermediate Similarity NPC476945
0.7838 Intermediate Similarity NPC263582
0.7826 Intermediate Similarity NPC473929
0.7826 Intermediate Similarity NPC476406
0.7812 Intermediate Similarity NPC179024
0.7812 Intermediate Similarity NPC48891
0.7808 Intermediate Similarity NPC471797
0.7808 Intermediate Similarity NPC469533
0.7808 Intermediate Similarity NPC100334
0.7808 Intermediate Similarity NPC469534
0.7808 Intermediate Similarity NPC469593
0.7794 Intermediate Similarity NPC225415
0.7794 Intermediate Similarity NPC290367
0.7792 Intermediate Similarity NPC23852
0.7792 Intermediate Similarity NPC264245
0.7792 Intermediate Similarity NPC476646
0.7792 Intermediate Similarity NPC209620
0.7778 Intermediate Similarity NPC242001
0.7778 Intermediate Similarity NPC471271
0.7778 Intermediate Similarity NPC471272
0.7778 Intermediate Similarity NPC167706
0.7778 Intermediate Similarity NPC110799
0.7778 Intermediate Similarity NPC471268
0.7763 Intermediate Similarity NPC308038
0.7763 Intermediate Similarity NPC242767
0.7763 Intermediate Similarity NPC152061
0.7763 Intermediate Similarity NPC17550
0.7761 Intermediate Similarity NPC282694
0.7761 Intermediate Similarity NPC79576
0.7761 Intermediate Similarity NPC194208
0.7727 Intermediate Similarity NPC309825
0.7703 Intermediate Similarity NPC162742
0.7703 Intermediate Similarity NPC304309
0.7703 Intermediate Similarity NPC134847
0.7703 Intermediate Similarity NPC288035
0.7703 Intermediate Similarity NPC141071
0.7703 Intermediate Similarity NPC471468
0.7703 Intermediate Similarity NPC285893
0.7703 Intermediate Similarity NPC257347
0.7703 Intermediate Similarity NPC136188
0.7703 Intermediate Similarity NPC28657
0.7703 Intermediate Similarity NPC471723
0.7703 Intermediate Similarity NPC22105
0.7703 Intermediate Similarity NPC230301
0.7692 Intermediate Similarity NPC49964
0.7692 Intermediate Similarity NPC87489
0.7692 Intermediate Similarity NPC50964
0.7692 Intermediate Similarity NPC101462
0.7692 Intermediate Similarity NPC189972
0.7692 Intermediate Similarity NPC202389
0.7671 Intermediate Similarity NPC259049
0.7662 Intermediate Similarity NPC241290
0.7662 Intermediate Similarity NPC157895
0.7662 Intermediate Similarity NPC148685
0.7662 Intermediate Similarity NPC209944
0.7662 Intermediate Similarity NPC164840
0.7662 Intermediate Similarity NPC96362
0.7662 Intermediate Similarity NPC104120
0.7662 Intermediate Similarity NPC206062
0.7632 Intermediate Similarity NPC62336
0.7632 Intermediate Similarity NPC473943
0.7632 Intermediate Similarity NPC477514
0.7632 Intermediate Similarity NPC239098
0.7632 Intermediate Similarity NPC11908
0.7632 Intermediate Similarity NPC297996
0.7612 Intermediate Similarity NPC135648
0.7606 Intermediate Similarity NPC245795
0.7606 Intermediate Similarity NPC276616
0.76 Intermediate Similarity NPC240604
0.76 Intermediate Similarity NPC106364
0.76 Intermediate Similarity NPC300324
0.76 Intermediate Similarity NPC120098
0.76 Intermediate Similarity NPC113733
0.76 Intermediate Similarity NPC129165
0.76 Intermediate Similarity NPC96319
0.76 Intermediate Similarity NPC30590
0.76 Intermediate Similarity NPC46160
0.76 Intermediate Similarity NPC189883
0.76 Intermediate Similarity NPC134330
0.76 Intermediate Similarity NPC202642
0.76 Intermediate Similarity NPC122418
0.76 Intermediate Similarity NPC107059
0.76 Intermediate Similarity NPC321381
0.76 Intermediate Similarity NPC265328
0.76 Intermediate Similarity NPC321016
0.76 Intermediate Similarity NPC470362
0.76 Intermediate Similarity NPC290598
0.76 Intermediate Similarity NPC27765
0.7595 Intermediate Similarity NPC474634
0.7595 Intermediate Similarity NPC470384
0.7595 Intermediate Similarity NPC475789
0.7595 Intermediate Similarity NPC317458
0.7581 Intermediate Similarity NPC244038
0.7571 Intermediate Similarity NPC326310
0.7571 Intermediate Similarity NPC267027
0.7571 Intermediate Similarity NPC162309
0.7568 Intermediate Similarity NPC477138
0.7568 Intermediate Similarity NPC243342
0.7568 Intermediate Similarity NPC91858
0.7564 Intermediate Similarity NPC474759
0.7564 Intermediate Similarity NPC249423
0.7564 Intermediate Similarity NPC47761
0.7564 Intermediate Similarity NPC82986
0.7564 Intermediate Similarity NPC474752
0.7564 Intermediate Similarity NPC7505
0.7564 Intermediate Similarity NPC474731
0.7564 Intermediate Similarity NPC474683
0.7564 Intermediate Similarity NPC6663
0.7538 Intermediate Similarity NPC39068
0.7538 Intermediate Similarity NPC264779
0.7536 Intermediate Similarity NPC101128
0.7536 Intermediate Similarity NPC309300
0.7534 Intermediate Similarity NPC242992
0.75 Intermediate Similarity NPC101475
0.75 Intermediate Similarity NPC68679
0.75 Intermediate Similarity NPC198968
0.75 Intermediate Similarity NPC474047
0.75 Intermediate Similarity NPC471798
0.75 Intermediate Similarity NPC318495
0.75 Intermediate Similarity NPC41160
0.75 Intermediate Similarity NPC469728
0.75 Intermediate Similarity NPC34177
0.75 Intermediate Similarity NPC203403

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC171225 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
0.8226 Intermediate Similarity NPD342 Phase 1
0.7703 Intermediate Similarity NPD6942 Approved
0.7703 Intermediate Similarity NPD7339 Approved
0.76 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD368 Approved
0.7467 Intermediate Similarity NPD8264 Approved
0.7308 Intermediate Similarity NPD7645 Phase 2
0.7297 Intermediate Similarity NPD4243 Approved
0.7273 Intermediate Similarity NPD4219 Approved
0.7229 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD4784 Approved
0.7105 Intermediate Similarity NPD6926 Approved
0.7105 Intermediate Similarity NPD4785 Approved
0.7105 Intermediate Similarity NPD6924 Approved
0.7089 Intermediate Similarity NPD6929 Approved
0.7037 Intermediate Similarity NPD3667 Approved
0.7027 Intermediate Similarity NPD6922 Approved
0.7027 Intermediate Similarity NPD6923 Approved
0.7013 Intermediate Similarity NPD5275 Approved
0.7013 Intermediate Similarity NPD4190 Phase 3
0.7 Intermediate Similarity NPD6930 Phase 2
0.7 Intermediate Similarity NPD7525 Registered
0.7 Intermediate Similarity NPD6931 Approved
0.6962 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7143 Approved
0.6933 Remote Similarity NPD7144 Approved
0.6923 Remote Similarity NPD6933 Approved
0.6867 Remote Similarity NPD3665 Phase 1
0.6867 Remote Similarity NPD3133 Approved
0.6867 Remote Similarity NPD4786 Approved
0.6867 Remote Similarity NPD3666 Approved
0.6842 Remote Similarity NPD7150 Approved
0.6842 Remote Similarity NPD7151 Approved
0.6842 Remote Similarity NPD7152 Approved
0.6835 Remote Similarity NPD6925 Approved
0.6835 Remote Similarity NPD5776 Phase 2
0.679 Remote Similarity NPD7514 Phase 3
0.679 Remote Similarity NPD7332 Phase 2
0.675 Remote Similarity NPD7145 Approved
0.6747 Remote Similarity NPD6695 Phase 3
0.6707 Remote Similarity NPD6902 Approved
0.6706 Remote Similarity NPD4623 Approved
0.6706 Remote Similarity NPD3618 Phase 1
0.6706 Remote Similarity NPD4519 Discontinued
0.6667 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4195 Approved
0.6588 Remote Similarity NPD6893 Approved
0.6585 Remote Similarity NPD7509 Discontinued
0.6585 Remote Similarity NPD4748 Discontinued
0.6512 Remote Similarity NPD5279 Phase 3
0.6506 Remote Similarity NPD6898 Phase 1
0.6477 Remote Similarity NPD4753 Phase 2
0.6477 Remote Similarity NPD5328 Approved
0.6437 Remote Similarity NPD7524 Approved
0.6437 Remote Similarity NPD7750 Discontinued
0.6429 Remote Similarity NPD4223 Phase 3
0.6429 Remote Similarity NPD4221 Approved
0.642 Remote Similarity NPD6932 Approved
0.6395 Remote Similarity NPD1696 Phase 3
0.6386 Remote Similarity NPD4695 Discontinued
0.6333 Remote Similarity NPD7515 Phase 2
0.6333 Remote Similarity NPD6079 Approved
0.6279 Remote Similarity NPD4197 Approved
0.6279 Remote Similarity NPD3668 Phase 3
0.6265 Remote Similarity NPD6683 Phase 2
0.6264 Remote Similarity NPD4202 Approved
0.6235 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6211 Remote Similarity NPD7639 Approved
0.6211 Remote Similarity NPD7640 Approved
0.6207 Remote Similarity NPD5329 Approved
0.6154 Remote Similarity NPD7087 Discontinued
0.6145 Remote Similarity NPD3617 Approved
0.6136 Remote Similarity NPD4138 Approved
0.6136 Remote Similarity NPD4694 Approved
0.6136 Remote Similarity NPD4693 Phase 3
0.6136 Remote Similarity NPD4689 Approved
0.6136 Remote Similarity NPD5690 Phase 2
0.6136 Remote Similarity NPD5280 Approved
0.6136 Remote Similarity NPD5205 Approved
0.6136 Remote Similarity NPD4690 Approved
0.6136 Remote Similarity NPD4688 Approved
0.6129 Remote Similarity NPD5210 Approved
0.6129 Remote Similarity NPD4629 Approved
0.6125 Remote Similarity NPD4732 Discontinued
0.6111 Remote Similarity NPD6051 Approved
0.6111 Remote Similarity NPD287 Approved
0.6105 Remote Similarity NPD4225 Approved
0.6105 Remote Similarity NPD7638 Approved
0.6098 Remote Similarity NPD1346 Approved
0.6087 Remote Similarity NPD6399 Phase 3
0.6082 Remote Similarity NPD5211 Phase 2
0.6081 Remote Similarity NPD4191 Approved
0.6081 Remote Similarity NPD4193 Approved
0.6081 Remote Similarity NPD4194 Approved
0.6081 Remote Similarity NPD4192 Approved
0.6064 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6064 Remote Similarity NPD5221 Approved
0.6064 Remote Similarity NPD5222 Approved
0.6064 Remote Similarity NPD4697 Phase 3
0.6032 Remote Similarity NPD1799 Clinical (unspecified phase)
0.6022 Remote Similarity NPD7748 Approved
0.6 Remote Similarity NPD4265 Approved
0.6 Remote Similarity NPD4723 Approved
0.6 Remote Similarity NPD5173 Approved
0.6 Remote Similarity NPD6083 Phase 2
0.6 Remote Similarity NPD6084 Phase 2
0.6 Remote Similarity NPD4722 Approved
0.6 Remote Similarity NPD4755 Approved
0.5978 Remote Similarity NPD7637 Suspended
0.5977 Remote Similarity NPD4788 Approved
0.596 Remote Similarity NPD5141 Approved
0.5957 Remote Similarity NPD5695 Phase 3
0.5955 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5955 Remote Similarity NPD6409 Approved
0.5955 Remote Similarity NPD7334 Approved
0.5955 Remote Similarity NPD5330 Approved
0.5955 Remote Similarity NPD6684 Approved
0.5955 Remote Similarity NPD7146 Approved
0.5955 Remote Similarity NPD7521 Approved
0.5952 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5949 Remote Similarity NPD15 Approved
0.5949 Remote Similarity NPD791 Approved
0.5938 Remote Similarity NPD5290 Discontinued
0.593 Remote Similarity NPD4139 Approved
0.593 Remote Similarity NPD4692 Approved
0.5914 Remote Similarity NPD5778 Approved
0.5914 Remote Similarity NPD5779 Approved
0.5909 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5909 Remote Similarity NPD385 Approved
0.5909 Remote Similarity NPD384 Approved
0.5876 Remote Similarity NPD4700 Approved
0.5876 Remote Similarity NPD5286 Approved
0.5876 Remote Similarity NPD4696 Approved
0.5876 Remote Similarity NPD5285 Approved
0.5876 Remote Similarity NPD6404 Discontinued
0.587 Remote Similarity NPD7136 Phase 2
0.5843 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5843 Remote Similarity NPD1694 Approved
0.5833 Remote Similarity NPD7902 Approved
0.5824 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5824 Remote Similarity NPD6903 Approved
0.5824 Remote Similarity NPD6672 Approved
0.5824 Remote Similarity NPD5737 Approved
0.5823 Remote Similarity NPD3621 Clinical (unspecified phase)
0.5816 Remote Similarity NPD5223 Approved
0.5806 Remote Similarity NPD5281 Approved
0.5806 Remote Similarity NPD6411 Approved
0.5806 Remote Similarity NPD5284 Approved
0.5783 Remote Similarity NPD8039 Approved
0.5773 Remote Similarity NPD5696 Approved
0.5761 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5758 Remote Similarity NPD5226 Approved
0.5758 Remote Similarity NPD4633 Approved
0.5758 Remote Similarity NPD5224 Approved
0.5758 Remote Similarity NPD5225 Approved
0.575 Remote Similarity NPD4137 Phase 3
0.5714 Remote Similarity NPD5325 Clinical (unspecified phase)
0.57 Remote Similarity NPD4754 Approved
0.57 Remote Similarity NPD5700 Clinical (unspecified phase)
0.57 Remote Similarity NPD5175 Approved
0.57 Remote Similarity NPD5174 Approved
0.5699 Remote Similarity NPD4096 Approved
0.5684 Remote Similarity NPD5771 Approved
0.5679 Remote Similarity NPD4691 Approved
0.5679 Remote Similarity NPD4747 Approved
0.5657 Remote Similarity NPD4159 Approved
0.5641 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5632 Remote Similarity NPD4822 Approved
0.5632 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5632 Remote Similarity NPD4819 Approved
0.5632 Remote Similarity NPD4821 Approved
0.5632 Remote Similarity NPD4820 Approved
0.5618 Remote Similarity NPD5332 Approved
0.5618 Remote Similarity NPD5362 Discontinued
0.5618 Remote Similarity NPD5331 Approved
0.5604 Remote Similarity NPD6098 Approved
0.56 Remote Similarity NPD7632 Discontinued

Structure

External Identifiers

PubChem CID   44567115
ChEMBL   CHEMBL465430
ZINC  

Physicochemical Properties

Molecular Weight:  220.18
ALogP:  0.6728
MLogP:  3
XLogP:  4.618
# Rotatable Bonds:  6
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  16

Download Data

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