Relationship Network
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1930
- Core Entity Id
- 5334
- Source Entity Count
- 1
- Preferred Name
- 2h-pyran-3-ol,6-ethenyltetrahydro-2,2,6-trimethyl-
- Name En
- Pubchem Id
- 26396
- Smiles Canonical
- CC1(C(CCC(O1)(C)C=C)O)C
- Molecular Formula
- C10H18O2
- Molecular Weight
- 170.2520
- Inchikey
- BCTBAGTXFYWYMW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3
- Isomeric Smiles
- CC1(C(CCC(O1)(C)C=C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.8810
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2h-pyran-3-ol,6-ethenyltetrahydro-2,2,6-trimethyl-
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2h-pyran-3-ol,6-ethenyltetrahydro-2,2,6-trimethyl-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
14049-11-7
Role
alias
Source
HERB_v2
Preferred
No
Name
14049-11-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran
Role
alias
Source
HERB_v2
Preferred
No
Name
6-ethenyl-2,2,6-trimethyloxan-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-ethenyl-2,2,6-trimethyloxan-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Linalool Oxide Pyranoid
Role
alias
Source
HERB_v2
Preferred
No
Name
Linalool Oxide Pyranoid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Linalool oxide pyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Linalool oxide pyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epoxylinalol
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
14049-11-72,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran6-ethenyl-2,2,6-trimethyloxan-3-olLinalool Oxide PyranoidLinalool oxide pyranosideTetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-olEpoxylinalol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005704HBIN025458
Npass
NPC232106
Tcmid
3988040574
Pub Chem
26396
Tcmbank
TCMBANKIN059462
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3
Mol Wt
170.252
Smiles
CC1(C(CCC(O1)(C)C=C)O)C
Mol Log P
1.881
In Ch Ikey
BCTBAGTXFYWYMW-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.609
Num Hacceptors
2
Isomeric Smiles
CC1(C(CCC(O1)(C)C=C)O)C
Canonical Smiles
CC1(C(CCC(O1)(C)C=C)O)C
Herb Alias Names
14049-11-72,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol6-ethenyl-2,2,6-trimethyloxan-3-ol2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-2,2,6-Trimethyl-6-vinyltetrahydropyran-3-olLinalool Oxide PyranoidLinalool oxide pyranoside3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol
Molecular Weight
170.25 g/mol
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Num Rotatable Bonds
1