Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Target: 3Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13690
- Core Entity Id
- 18387
- Source Entity Count
- 1
- Preferred Name
- Capillanol
- Name En
- Pubchem Id
- 5315669
- Smiles Canonical
- CC(CC#CCC1=CC=CC=C1)O
- Molecular Formula
- C12H14O
- Molecular Weight
- 174.2430
- Inchikey
- WWNYBNQWIHBNIE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9,11,13H,7,10H2,1H3
- Isomeric Smiles
- CC(CC#CCC1=CC=CC=C1)O
- Cas Id
- 57576-57-5
- Ob Score
- 62.0183
- Mol Logp
- 2.0034
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Capillanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Capillanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Capillanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Capillanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
capillanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
57576-57-5
Role
alias
Source
TCMBank
Preferred
No
Name
6-phenylhex-4-yn-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-phenylhex-4-yn-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-phenylhex-4-yn-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSTCK
Role
alias
Source
TCMBank
Preferred
No
Name
C17783
Role
alias
Source
TCMBank
Preferred
No
Name
C17783
Role
alias
Source
HERB_v2
Preferred
No
Name
C17783
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:81335
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:81335
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:81335
Role
alias
Source
HERB_v2
Preferred
No
Name
Capillanol
Role
alias
Source
TCMBank
Preferred
No
Name
Q27155274
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27155274
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
57576-57-56-phenylhex-4-yn-2-olAC1NSTCKC17783CHEBI:81335Q27155274
Cross References
Trusted external identifiers retained for this final record.
Cas
57576-57-5
Herb
HBIN019643
Npass
NPC125945
Tcmid
3116
Tcmsp
MOL008054
Sym Map
SMIT01319SMIT09388
Tcm Id
5922
Pub Chem
5315669
Tcmbank
TCMBANKIN017904
Etcm Ingredient
Capillanol
Itcmdb Generated
ITX-INGREDIENT-38B2A6A7C377
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9,11,13H,7,10H2,1H3
Mol Wt
174.243
Cas Id
57576-57-5
Smiles
CC(CC#CCC1=CC=CC=C1)O
Mol Log P
2.003400000000001
Version
v1,v2
In Ch Ikey
WWNYBNQWIHBNIE-UHFFFAOYSA-N
Ob Score
62.01832035
Suppress
1
Num Hdonors
1
Drug Likeness
0.68
Num Hacceptors
1
Isomeric Smiles
CC(CC#CCC1=CC=CC=C1)O
Molecule Weight
174.242|174.26
Canonical Smiles
CC(CC#CCC1=CC=CC=C1)O
Herb Alias Names
6-phenylhex-4-yn-2-olCHEBI:81335C17783Q27155274
Molecular Weight
174.100
Molecular Weight
174.24
Molecule Formula
C12H14O
Molecular Formula
C12H14O
Molecular Formula
C12H14O
Molecular Formula
C12H14O
Num Rotatable Bonds
2
Link Ingredient Id
1319.0
Fda Maximum Daily Dose (Fdamdd)
0.897
Quantitative Estimate Of Drug Likeness（Qed）
0.680