Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9155
- Core Entity Id
- 13341
- Source Entity Count
- 1
- Preferred Name
- 9-geranyl-terpineol
- Name En
- Pubchem Id
- 5317565
- Smiles Canonical
- CC1=CCC(CC1)C(C)(CCC=C(C)CCC=C(C)C)O
- Molecular Formula
- C20H34O
- Molecular Weight
- 290.4910
- Inchikey
- YGPABMQZQTXEOE-LICLKQGHSA-N
- Inchi
- InChI=1S/C20H34O/c1-16(2)8-6-9-17(3)10-7-15-20(5,21)19-13-11-18(4)12-14-19/h8,10-11,19,21H,6-7,9,12-15H2,1-5H3/b17-10+
- Isomeric Smiles
- CC1=CCC(CC1)C(C)(CC/C=C(\C)/CCC=C(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 5.9567
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.5740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Geranyl-Terpineol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
9-Geranyl-Terpineol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9-Geranyl-terpineol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9-Geranyl-terpineol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-geranyl-terpineol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-geranyl-terpineol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
地耳草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DI ER CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese St.John’swort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(5E)-6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(5E)-6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methyl-1-(4-methyl-3-cyclohexenyl)-5,9-dimethyl-4,8-decadiene-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Methyl-1-(4-methyl-3-cyclohexenyl)-5,9-dimethyl-4,8-decadiene-1-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1NSVSX
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1NSVSX
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
地耳草DI ER CAOJapanese St.John’swort(5E)-6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-ol1-Methyl-1-(4-methyl-3-cyclohexenyl)-5,9-dimethyl-4,8-decadiene-1-olAC1NSVSX
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014100
Npass
NPC23158
Tcmid
8328
Sym Map
SMIT15524
Pub Chem
5317565
Tcmbank
TCMBANKIN040741
Etcm Ingredient
9-Geranyl-terpineol
Itcmdb Generated
ITX-INGREDIENT-C8BC32703F13
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H34O/c1-16(2)8-6-9-17(3)10-7-15-20(5,21)19-13-11-18(4)12-14-19/h8,10-11,19,21H,6-7,9,12-15H2,1-5H3/b17-10+
Mol Wt
290.491
Mol Log P
5.956700000000007
Version
v1,v2
In Ch Ikey
YGPABMQZQTXEOE-LICLKQGHSA-N
Suppress
0
Tcm Name
地耳草
Tcm Name2
DI ER CAO
Mol2 Path
/TCM_database/2007_3d_all/08329.mol2
Reference
762
Num Hdonors
1
Tcm Name En
Japanese St.John’swort
Drug Likeness
0.574
Num Hacceptors
1
Isomeric Smiles
CC1=CCC(CC1)C(C)(CC/C=C(\C)/CCC=C(C)C)O
Canonical Smiles
CC1=CCC(CC1)C(C)(CCC=C(C)CCC=C(C)C)O
Molecular Weight
290.260
Molecular Weight
290.5 g/mol
Molecule Formula
C20H34O
Molecular Formula
C20H34O
Molecular Formula
C20H34O
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.106
Quantitative Estimate Of Drug Likeness（Qed）
0.574