Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1715
- Core Entity Id
- 5095
- Source Entity Count
- 1
- Preferred Name
- 2-caraneol
- Name En
- Pubchem Id
- 536562
- Smiles Canonical
- CC1CCC2C(C1O)C2(C)C
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- RPPLFPVIBFQGJC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3
- Isomeric Smiles
- CC1CCC2C(C1O)C2(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.0494
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Caraneol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Caraneol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-caraneol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-caraneol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-caraneol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1R*,2S*,3S*,6S*)-2-Caranol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R*,2S*,3S*,6S*)-2-Caranol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1.alpha.,2.alpha.,3.beta.,6.alpha.)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1.alpha.,2.alpha.,3.beta.,6.alpha.)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
RPPLFPVIBFQGJC-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
RPPLFPVIBFQGJC-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL14984285
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14984285
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R*,2S*,3S*,6S*)-2-Caranol3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol #Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1.alpha.,2.alpha.,3.beta.,6.alpha.)-RPPLFPVIBFQGJC-UHFFFAOYSA-NSCHEMBL14984285
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005440
Npass
NPC327281
Tcmid
3150
Sym Map
SMIT14574
Pub Chem
536562
Tcmbank
TCMBANKIN003546
Etcm Ingredient
2-Caraneol
Itcmdb Generated
ITX-INGREDIENT-2DD1C5578E03
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3
Mol Wt
154.253
Smiles
CC1CCC2C(C1O)C2(C)C
Mol Log P
2.0494
Version
v1,v2
In Ch Ikey
RPPLFPVIBFQGJC-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.566
Num Hacceptors
1
Isomeric Smiles
CC1CCC2C(C1O)C2(C)C
Canonical Smiles
CC1CCC2C(C1O)C2(C)C
Herb Alias Names
(1R*,2S*,3S*,6S*)-2-CaranolSCHEMBL14984285RPPLFPVIBFQGJC-UHFFFAOYSA-N3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol #Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1.alpha.,2.alpha.,3.beta.,6.alpha.)-
Molecular Weight
154.140
Molecular Weight
154.25 g/mol
Molecule Formula
C10H18O
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.118
Quantitative Estimate Of Drug Likeness（Qed）
0.566