Natural Product: NPC168308

Natural Product ID:  NPC168308
Common Name:   Halaminol B
IUPAC Name:   (2S,3R)-2-aminododec-11-en-3-ol
Synonyms:  
Molecular Formula:   C12H25NO
Standard InCHIKey:  DYBRAHBPARLKOA-NWDGAFQWSA-N
Standard InCHI:  InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h3,11-12,14H,1,4-10,13H2,2H3/t11-,12+/m0/s1
Canonical SMILES:  C=CCCCCCCC[C@H]([C@@H](N)C)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
NPO32555 haliclona n. sp. Species Chalinidae Eukaryota PMID[11754615]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes IZ = 10 mm 16252925
NPT1223 Organism Amorphotheca resinae Amorphotheca resinae IZ = 10 mm 22624550

  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 NPC168308 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 NPC302569
0.8966 High Similarity NPC47333
0.8689 High Similarity NPC113224
0.8302 Intermediate Similarity NPC96966
0.8302 Intermediate Similarity NPC29222
0.8302 Intermediate Similarity NPC121062
0.7719 Intermediate Similarity NPC474322
0.7719 Intermediate Similarity NPC123814
0.7681 Intermediate Similarity NPC3094
0.7619 Intermediate Similarity NPC55068
0.7429 Intermediate Similarity NPC51055
0.7429 Intermediate Similarity NPC62293
0.7429 Intermediate Similarity NPC140327
0.7429 Intermediate Similarity NPC212008
0.7361 Intermediate Similarity NPC473972
0.7361 Intermediate Similarity NPC475363
0.7361 Intermediate Similarity NPC473971
0.7213 Intermediate Similarity NPC8979
0.7162 Intermediate Similarity NPC79367
0.7143 Intermediate Similarity NPC26932
0.6933 Remote Similarity NPC207657
0.6875 Remote Similarity NPC319131
0.6857 Remote Similarity NPC324638
0.6812 Remote Similarity NPC474812
0.6727 Remote Similarity NPC249801
0.6727 Remote Similarity NPC46248
0.6714 Remote Similarity NPC103712
0.6714 Remote Similarity NPC291196
0.6712 Remote Similarity NPC217095
0.6712 Remote Similarity NPC264417
0.6667 Remote Similarity NPC17455
0.6615 Remote Similarity NPC326524
0.6615 Remote Similarity NPC325550
0.6615 Remote Similarity NPC329003
0.6607 Remote Similarity NPC252978
0.6575 Remote Similarity NPC473588
0.6575 Remote Similarity NPC78562
0.6571 Remote Similarity NPC23721
0.6462 Remote Similarity NPC321030
0.6452 Remote Similarity NPC270041
0.6429 Remote Similarity NPC470663
0.6418 Remote Similarity NPC51166
0.6379 Remote Similarity NPC76976
0.6351 Remote Similarity NPC288086
0.629 Remote Similarity NPC49494
0.629 Remote Similarity NPC188341
0.6167 Remote Similarity NPC193872
0.6154 Remote Similarity NPC314762
0.6133 Remote Similarity NPC470993
0.6133 Remote Similarity NPC470992
0.6129 Remote Similarity NPC261571
0.6111 Remote Similarity NPC268922
0.6094 Remote Similarity NPC256209
0.6094 Remote Similarity NPC471442
0.6094 Remote Similarity NPC471423
0.6094 Remote Similarity NPC49059
0.6056 Remote Similarity NPC314221
0.6056 Remote Similarity NPC60424
0.6027 Remote Similarity NPC473710
0.6027 Remote Similarity NPC475694
0.6026 Remote Similarity NPC474833
0.6 Remote Similarity NPC242930
0.5976 Remote Similarity NPC477199
0.5972 Remote Similarity NPC471418
0.5946 Remote Similarity NPC476695
0.5946 Remote Similarity NPC476694
0.5946 Remote Similarity NPC476696
0.5946 Remote Similarity NPC306973
0.5938 Remote Similarity NPC26102
0.5938 Remote Similarity NPC477724
0.5938 Remote Similarity NPC187361
0.5909 Remote Similarity NPC471605
0.5909 Remote Similarity NPC471443
0.5857 Remote Similarity NPC477106
0.5846 Remote Similarity NPC471917
0.5843 Remote Similarity NPC471635
0.5843 Remote Similarity NPC119225
0.5843 Remote Similarity NPC476261
0.5843 Remote Similarity NPC470382
0.5843 Remote Similarity NPC25033
0.5833 Remote Similarity NPC87439
0.5802 Remote Similarity NPC82799
0.5789 Remote Similarity NPC305223
0.5781 Remote Similarity NPC470664
0.5775 Remote Similarity NPC474928
0.5758 Remote Similarity NPC477725
0.5758 Remote Similarity NPC477726
0.5758 Remote Similarity NPC52264
0.5747 Remote Similarity NPC319021
0.5735 Remote Similarity NPC233364
0.5735 Remote Similarity NPC471421
0.5733 Remote Similarity NPC470662
0.5732 Remote Similarity NPC474312
0.5714 Remote Similarity NPC29468
0.5714 Remote Similarity NPC40434
0.5714 Remote Similarity NPC145627
0.5714 Remote Similarity NPC34873
0.5694 Remote Similarity NPC303798
0.5694 Remote Similarity NPC286851
0.5692 Remote Similarity NPC474496
0.5692 Remote Similarity NPC178263
0.5692 Remote Similarity NPC277072
0.5679 Remote Similarity NPC209232
0.5672 Remote Similarity NPC477661
0.5672 Remote Similarity NPC475384
0.5672 Remote Similarity NPC470966
0.5672 Remote Similarity NPC161838
0.5672 Remote Similarity NPC470967
0.5672 Remote Similarity NPC471960
0.5672 Remote Similarity NPC473847
0.5672 Remote Similarity NPC470968
0.5672 Remote Similarity NPC470969
0.5667 Remote Similarity NPC108195
0.566 Remote Similarity NPC66124
0.566 Remote Similarity NPC72324
0.566 Remote Similarity NPC319034
0.566 Remote Similarity NPC193062
0.566 Remote Similarity NPC1748
0.5658 Remote Similarity NPC474468
0.5652 Remote Similarity NPC164514
0.5652 Remote Similarity NPC226096
0.5652 Remote Similarity NPC108606
0.5652 Remote Similarity NPC290515
0.5652 Remote Similarity NPC303611
0.5647 Remote Similarity NPC258824
0.5641 Remote Similarity NPC477002
0.5636 Remote Similarity NPC79544
0.5634 Remote Similarity NPC316674
0.5625 Remote Similarity NPC151782
0.5625 Remote Similarity NPC129263
0.5625 Remote Similarity NPC473672
0.5625 Remote Similarity NPC474495
0.5606 Remote Similarity NPC110732
0.5606 Remote Similarity NPC137538

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC168308 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
0.8 Intermediate Similarity NPD3214 Discontinued
0.7719 Intermediate Similarity NPD3215 Phase 1
0.7619 Intermediate Similarity NPD3210 Clinical (unspecified phase)
0.6857 Remote Similarity NPD3212 Clinical (unspecified phase)
0.6026 Remote Similarity NPD3732 Approved
0.5846 Remote Similarity NPD8971 Approved
0.5714 Remote Similarity NPD6949 Clinical (unspecified phase)
0.5652 Remote Similarity NPD9609 Approved
0.5652 Remote Similarity NPD9612 Approved
0.5652 Remote Similarity NPD9611 Approved

Structure

External Identifiers

PubChem CID   10013009
ChEMBL   CHEMBL445229
ZINC  

Physicochemical Properties

Molecular Weight:  199.19
ALogP:  -2.0246
MLogP:  2.56
XLogP:  3.62
# Rotatable Bonds:  12
Polar Surface Area:  46.25
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  14

Download Data

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