Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32013
- Core Entity Id
- 38772
- Source Entity Count
- 1
- Preferred Name
- Rose oxide
- Name En
- Pubchem Id
- 27866
- Smiles Canonical
- CC1CCOC(C1)C=C(C)C
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- CZCBTSFUTPZVKJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3
- Isomeric Smiles
- CC1CCOC(C1)C=C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.7677
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rose Oxide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Rose oxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rose oxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Rose oxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
香叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIANG YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Roce Pelargonium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Rose oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Rose oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
16409-43-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
16409-43-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methyl-2-(2-methylprop-1-enyl)oxane
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methyl-2-(2-methylprop-1-enyl)oxane
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methyl-2-(2-methylpropenyl)tetrahydro-2h-pyran
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methyl-2-(2-methylpropenyl)tetrahydro-2h-pyran
Role
alias
Source
HERB_v2
Preferred
No
Name
Fema 3236
Role
alias
Source
HERB_v2
Preferred
No
Name
Fema 3236
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rosenoxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rosenoxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Rosoxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Rosoxide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
香叶XIANG YERoce Pelargonium(+)-Rose oxide16409-43-12H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran4-methyl-2-(2-methylprop-1-enyl)oxane4-methyl-2-(2-methylpropenyl)tetrahydro-2h-pyranFema 3236RosenoxideRosoxide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042423
Npass
NPC36054
Tcmid
1890533541
Sym Map
SMIT17496
Tcm Id
1089
Pub Chem
27866
Tcmbank
TCMBANKIN010905
Itcmdb Generated
ITX-INGREDIENT-95923D9475F3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3
Mol Wt
154.253
Mol Log P
2.767700000000001
Version
v1,v2
In Ch Ikey
CZCBTSFUTPZVKJ-UHFFFAOYSA-N
Suppress
0
Tcm Name
香叶
Tcm Name2
XIANG YE
Mol2 Path
/TCM_database/2007_3d_all/18920.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Roce Pelargonium
Drug Likeness
0.528
Num Hacceptors
1
Isomeric Smiles
CC1CCOC(C1)C=C(C)C
Canonical Smiles
CC1CCOC(C1)C=C(C)C
Herb Alias Names
16409-43-14-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyranRosenoxideRosoxide4-methyl-2-(2-methylprop-1-enyl)oxane4-methyl-2-(2-methylpropenyl)tetrahydro-2h-pyran2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-Fema 3236(+)-Rose oxide
Molecular Formula
C10H18O
Num Rotatable Bonds
1