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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2641
- Core Entity Id
- 6123
- Source Entity Count
- 1
- Preferred Name
- Gamma-eudesmol
- Name En
- Pubchem Id
- 6432005
- Smiles Canonical
- CC1=C2CC(CCC2(CCC1)C)C(C)(C)O
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.3720
- Inchikey
- WMOPMQRJLLIEJV-IUODEOHRSA-N
- Inchi
- InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1
- Isomeric Smiles
- CC1=C2C[C@@H](CC[C@]2(CCC1)C)C(C)(C)O
- Cas Id
- 1209-71-8
- Ob Score
- 24.2823
- Mol Logp
- 4.0641
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R-Cis)-1,2,3,4,4A,5,6,7-Octahydro-Alpha,Alpha,4A,8-Tetramethyl-2-Naphthalenemethanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2r-cis)-1,2,3,4,4a,5,6,7-octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2r-cis)-1,2,3,4,4a,5,6,7-octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gamma-eudesmol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gamma-eudesmol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
gamma-eudesmol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
.gamma.-Eudesmol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1209-71-8
Role
alias
Source
HERB_v2
Preferred
No
Name
1209-71-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
C3M974G2BE
Role
alias
Source
itcmdb_public
Preferred
No
Name
C3M974G2BE
Role
alias
Source
HERB_v2
Preferred
No
Name
Machilol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Machilol
Role
alias
Source
HERB_v2
Preferred
No
Name
Selinenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Selinenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Uncineol
Role
alias
Source
HERB_v2
Preferred
No
Name
Uncineol
Role
alias
Source
itcmdb_public
Preferred
No
Name
eudesm-4-en-11-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
eudesm-4-en-11-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
gamma-Eudesmol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R-Cis)-1,2,3,4,4A,5,6,7-Octahydro-Alpha,Alpha,4A,8-Tetramethyl-2-Naphthalenemethanol.gamma.-Eudesmol1209-71-82-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-olC3M974G2BEMachilolSelinenolUncineoleudesm-4-en-11-ol
Cross References
Trusted external identifiers retained for this final record.
Cas
1209-71-8
Herb
HBIN006540HBIN027081HBIN027127HBIN034098
Npass
NPC179024
Tcmid
23684343587514
Tcmsp
MOL001195MOL012409
Sym Map
SMIT01856SMIT03649SMIT13163
Tcm Id
1820626244189
Pub Chem
6432005
Tcmbank
TCMBANKIN059818
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1
Mol Wt
222.372
Cas Id
1209-71-8
Smiles
CC1=C2CC(CCC2(CCC1)C)C(C)(C)O
Mol Log P
4.064100000000004
Version
v1,v2
In Ch Ikey
WMOPMQRJLLIEJV-IUODEOHRSA-N
Ob Score
24.2823124.2823100424.28231004;15.19987443
Suppress
0
Num Hdonors
1
Drug Likeness
0.663
Num Hacceptors
1
Isomeric Smiles
CC1=C2C[C@@H](CC[C@]2(CCC1)C)C(C)(C)O
Molecule Weight
222.41
Canonical Smiles
CC1=C2CC(CCC2(CCC1)C)C(C)(C)O
Herb Alias Names
gamma-EudesmolMachilolSelinenol1209-71-8Uncineoleudesm-4-en-11-ol.gamma.-Eudesmol2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol(+)-gamma-eudesmolC3M974G2BE
Molecular Weight
222.37 g/mol
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
1