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: 6Ingredient: 1Target: 6Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37247
- Core Entity Id
- 44607
- Source Entity Count
- 1
- Preferred Name
- Zingiberol
- Name En
- Pubchem Id
- 5317270
- Smiles Canonical
- CC12CCCC(=C)C1CC(CC2)C(C)(C)O
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.3720
- Inchikey
- BOPIMTNSYWYZOC-ILWWEHDPSA-N
- Inchi
- InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13?,15-/m1/s1
- Isomeric Smiles
- C[C@]12CCCC(=C)C1C[C@@H](CC2)C(C)(C)O
- Cas Id
- Ob Score
- 37.2440
- Mol Logp
- 3.9200
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Zingiberol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Zingiberol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Zingiberol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Zingiberol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
zingiberol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
zingiberol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-(4A-METHYL-8-METHYLIDENE-OCTAHYDRONAPHTHALEN-2-YL)-2-METHYLPROPAN-2-OL
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)-2-methylpropan-2-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6754-68-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
6754-68-3
Role
alias
Source
HERB_v2
Preferred
No
Name
9Z7579U8XZ
Role
alias
Source
itcmdb_public
Preferred
No
Name
9Z7579U8XZ
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1O5BL1
Role
alias
Source
SymMap_v2
Preferred
No
Name
GMZKBWZWDAAWPI-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
MIXTURE OF beta-EUDESMOL WITH TRANS-AND CIS-RING JUNCTURE
Role
alias
Source
HERB_v2
Preferred
No
Name
MIXTURE OF beta-EUDESMOL WITH TRANS-AND CIS-RING JUNCTURE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27273411
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27273411
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12633040
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL12633040
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9Z7579U8XZ
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-9Z7579U8XZ
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(4A-METHYL-8-METHYLIDENE-OCTAHYDRONAPHTHALEN-2-YL)-2-METHYLPROPAN-2-OL1-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)-2-methylpropan-2-ol2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-6754-68-39Z7579U8XZAC1O5BL1GMZKBWZWDAAWPI-UHFFFAOYSA-NMIXTURE OF beta-EUDESMOL WITH TRANS-AND CIS-RING JUNCTUREQ27273411SCHEMBL12633040UNII-9Z7579U8XZ
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048994
Npass
NPC94907
Tcmid
23697
Tcmsp
MOL006123
Sym Map
SMIT00242
Tcm Id
28
Pub Chem
5317270
Tcmbank
TCMBANKIN060116
Etcm Ingredient
zingiberol
Itcmdb Generated
ITX-INGREDIENT-D1F5FD847BA7
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/h12-13,16H,1,5-10H2,2-4H3/t12-,13?,15-/m1/s1
Mol Wt
222.372
Smiles
CC12CCCC(=C)C1CC(CC2)C(C)(C)O
Mol Log P
3.920000000000003
Version
v1,v2
In Ch Ikey
BOPIMTNSYWYZOC-ILWWEHDPSA-N
Ob Score
37.24437.2443157637.244316
Suppress
0
Num Hdonors
1
Drug Likeness
0.667
Num Hacceptors
1
Isomeric Smiles
C[C@]12CCCC(=C)C1C[C@@H](CC2)C(C)(C)O
Molecule Weight
222.41
Canonical Smiles
CC12CCCC(=C)C1CC(CC2)C(C)(C)O
Herb Alias Names
UNII-9Z7579U8XZ9Z7579U8XZ6754-68-32-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-SCHEMBL12633040Q27273411MIXTURE OF beta-EUDESMOL WITH TRANS-AND CIS-RING JUNCTURE2-NAPHTHALENEETHANOL, DECAHYDRO-.ALPHA.,.ALPHA.,4A-TRIMETHYL-8-METHYLENE-
Molecular Weight
222.200
Molecular Weight
222.37 g/mol
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.710