Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1831
- Core Entity Id
- 5223
- Source Entity Count
- 1
- Preferred Name
- 2-epi-alpha-cedrene
- Name En
- Pubchem Id
- 1201552
- Smiles Canonical
- CC1CCC2C13CC=C(C(C3)C2(C)C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.3570
- Inchikey
- IRAQOCYXUMOFCW-ABHRYQDASA-N
- Inchi
- InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13-,15-/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.4150
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-epi-alpha-cedrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-epi-alpha-cedrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3S,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
Role
alias
Source
HERB_v2
Preferred
No
Name
35944-22-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
35944-22-0
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401020449
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401020449
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00122330
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00122330
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3S,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene35944-22-0DTXSID401020449NS00122330
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005580
Tcmid
36741
Pub Chem
1201552
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13-,15-/m0/s1
Mol Wt
204.357
Mol Log P
4.415000000000004
In Ch Ikey
IRAQOCYXUMOFCW-ABHRYQDASA-N
Num Hdonors
0
Drug Likeness
0.513
Num Hacceptors
0
Isomeric Smiles
C[C@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C
Canonical Smiles
CC1CCC2C13CC=C(C(C3)C2(C)C)C
Herb Alias Names
(3S,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazuleneDTXSID40102044935944-22-0NS00122330
Molecular Formula
C15H24
Num Rotatable Bonds
0