Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Target: 3Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12510
- Core Entity Id
- 17074
- Source Entity Count
- 1
- Preferred Name
- Beta-rhodinol
- Name En
- Pubchem Id
- 7793
- Smiles Canonical
- CC(CCC=C(C)C)CCO
- Molecular Formula
- C10H20O
- Molecular Weight
- 156.2690
- Inchikey
- QMVPMAAFGQKVCJ-JTQLQIEISA-N
- Inchi
- InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
- Isomeric Smiles
- C[C@@H](CCC=C(C)C)CCO
- Cas Id
- 1335-43-9
- Ob Score
- 38.0510
- Mol Logp
- 2.7513
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Beta-Rhodinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Beta-rhodinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Beta-rhodinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-Citronellol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Citronellol
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-beta-Citronellol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-beta-Citronellol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S)-3,7-dimethyloct-6-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S)-3,7-dimethyloct-6-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(-)-beta-Citronellol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-(-)-beta-Citronellol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(-)-citronellol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-3,7-dimethyloct-6-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-3,7-dimethyloct-6-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-citronellol
Role
alias
Source
itcmdb_public
Preferred
No
Name
7540-51-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
7540-51-4
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Citronellol
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Citronellol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Citronellol(-)-beta-Citronellol(3S)-3,7-dimethyloct-6-en-1-ol(S)-(-)-beta-Citronellol(S)-(-)-citronellol(S)-3,7-dimethyloct-6-en-1-ol(S)-citronellol7540-51-4l-Citronellol
Cross References
Trusted external identifiers retained for this final record.
Cas
1335-43-9
Herb
HBIN018247
Npass
NPC210560
Tcmsp
MOL002522
Sym Map
SMIT04741
Pub Chem
7793
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
Mol Wt
156.269
Cas Id
1335-43-9
Mol Log P
2.751300000000001
Version
v1,v2
In Ch Ikey
QMVPMAAFGQKVCJ-JTQLQIEISA-N
Ob Score
38.05138.05134392
Suppress
0
Num Hdonors
1
Drug Likeness
0.607
Num Hacceptors
1
Isomeric Smiles
C[C@@H](CCC=C(C)C)CCO
Molecule Weight
156.3
Canonical Smiles
CC(CCC=C(C)C)CCO
Herb Alias Names
7540-51-4(S)-3,7-dimethyloct-6-en-1-oll-Citronellol(-)-beta-Citronellol(-)-Citronellol(S)-(-)-citronellol(3S)-3,7-dimethyloct-6-en-1-ol(S)-(-)-beta-Citronellol(S)-citronellol
Molecular Formula
C10H20O
Num Rotatable Bonds
5