Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4280
- Core Entity Id
- 7945
- Source Entity Count
- 1
- Preferred Name
- 3-decyn-2-ol
- Name En
- Pubchem Id
- 536504
- Smiles Canonical
- CCCCCCC#CC(C)O
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- PGIQIBRWODQISW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-7H2,1-2H3
- Isomeric Smiles
- CCCCCCC#CC(C)O
- Cas Id
- 69668-93-5
- Ob Score
- 39.3269
- Mol Logp
- 2.3410
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Decyn-2-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Decyn-2-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-decyn-2-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-decyn-2-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-decyn-2-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-decyn-2-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-decyn- 2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
69668-93-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
69668-93-5
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID901022119
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID901022119
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10880759
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10880759
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00095966
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00095966
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5461848
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5461848
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-decyn- 2-ol69668-93-5DTXCID901022119DTXSID10880759NS00095966SCHEMBL5461848
Cross References
Trusted external identifiers retained for this final record.
Cas
69668-93-5
Herb
HBIN008418
Npass
NPC223475
Tcmid
36855
Tcmsp
MOL005822
Sym Map
SMIT07526
Pub Chem
536504
Tcmbank
TCMBANKIN005379
Etcm Ingredient
3-decyn-2-ol
Itcmdb Generated
ITX-INGREDIENT-71686B221644
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-7H2,1-2H3
Mol Wt
154.253
Cas Id
69668-93-5
Smiles
CCCCCCC#CC(C)O
Mol Log P
2.341000000000001
Version
v1,v2
In Ch Ikey
PGIQIBRWODQISW-UHFFFAOYSA-N
Ob Score
39.3269259139.32692639.327
Suppress
0
Num Hdonors
1
Drug Likeness
0.487
Num Hacceptors
1
Isomeric Smiles
CCCCCCC#CC(C)O
Molecule Weight
154.28
Canonical Smiles
CCCCCCC#CC(C)O
Herb Alias Names
69668-93-5DTXSID10880759SCHEMBL5461848DTXCID901022119NS00095966
Molecular Weight
154.140
Molecular Weight
154.25
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.965
Quantitative Estimate Of Drug Likeness（Qed）
0.487