Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 76
- Core Entity Id
- 799
- Source Entity Count
- 1
- Preferred Name
- 2-(1-hydroxyethyl)norbornadiene
- Name En
- Pubchem Id
- 548766
- Smiles Canonical
- CC(C1=CC2CC1C=C2)O
- Molecular Formula
- C9H12O
- Molecular Weight
- 136.1940
- Inchikey
- FHTKYSNAPXOHOI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,5-8,10H,4H2,1H3
- Isomeric Smiles
- CC(C1=CC2CC1C=C2)O
- Cas Id
- Ob Score
- 81.6507
- Mol Logp
- 1.4995
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(1-Hydroxyethyl)Norbornadiene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-(1-Hydroxyethyl)Norbornadiene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(1-Hydroxyethyl)norbornadiene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-(1-Hydroxyethyl)norbornadiene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(1-hydroxyethyl)norbornadiene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(1-hydroxyethyl)norbornadiene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Bicyclo[2.2.1]hepta-2,5-dien-2-ylethanol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Bicyclo[2.2.1]hepta-2,5-dien-2-ylethanol #
Role
alias
Source
HERB_v2
Preferred
No
Name
FHTKYSNAPXOHOI-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
FHTKYSNAPXOHOI-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL10713609
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL10713609
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Bicyclo[2.2.1]hepta-2,5-dien-2-ylethanol #FHTKYSNAPXOHOI-UHFFFAOYSA-NSCHEMBL10713609
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003576
Tcmsp
MOL012870
Sym Map
SMIT13596
Pub Chem
548766
Tcmbank
TCMBANKIN004590
Etcm Ingredient
2-(1-Hydroxyethyl)norbornadiene
Itcmdb Generated
ITX-INGREDIENT-F5D608D8DC7E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,5-8,10H,4H2,1H3
Mol Wt
136.194
Smiles
CC(C1=CC2CC1C=C2)O
Mol Log P
1.4995
Version
v1,v2
In Ch Ikey
FHTKYSNAPXOHOI-UHFFFAOYSA-N
Ob Score
81.65071681.6507164881.651
Suppress
0
Num Hdonors
1
Drug Likeness
0.541
Num Hacceptors
1
Isomeric Smiles
CC(C1=CC2CC1C=C2)O
Molecule Weight
136.21
Canonical Smiles
CC(C1=CC2CC1C=C2)O
Herb Alias Names
SCHEMBL10713609FHTKYSNAPXOHOI-UHFFFAOYSA-N1-Bicyclo[2.2.1]hepta-2,5-dien-2-ylethanol #
Molecular Weight
136.090
Molecular Weight
136.19 g/mol
Molecular Formula
C9H12O
Molecular Formula
C9H12O
Molecular Formula
C9H12O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.958
Quantitative Estimate Of Drug Likeness（Qed）
0.541