Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23367
- Core Entity Id
- 29157
- Source Entity Count
- 1
- Preferred Name
- Junenol
- Name En
- Pubchem Id
- 6452077
- Smiles Canonical
- CC(C)C1CCC2(CCCC(=C)C2C1O)C
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.3720
- Inchikey
- MSJJKJCIFIGTJY-LJISPDSOSA-N
- Inchi
- InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+/m0/s1
- Isomeric Smiles
- CC(C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2[C@H]1O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.7759
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Junenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Junenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Junenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Junenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
欧洲刺柏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
OU ZHOU CI BAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Juniper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Junenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Junenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2S,4aR,8aS)-2-Isopropyl-4a-methyl-8-methylenedecahydronaphthalen-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2S,4aR,8aS)-2-Isopropyl-4a-methyl-8-methylenedecahydronaphthalen-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S-(1alpha,2beta,4abeta,8aalpha))-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S-(1alpha,2beta,4abeta,8aalpha))-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Naphthalenol, decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, (1S,2S,4aR,8aS)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Naphthalenol, decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, (1S,2S,4aR,8aS)-
Role
alias
Source
HERB_v2
Preferred
No
Name
472-07-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
472-07-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Eudesm-4(14)-en-6alpha-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eudesm-4(14)-en-6alpha-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-Z3209PC5TC
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-Z3209PC5TC
Role
alias
Source
itcmdb_public
Preferred
No
Name
Z3209PC5TC
Role
alias
Source
HERB_v2
Preferred
No
Name
Z3209PC5TC
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
欧洲刺柏OU ZHOU CI BAICommon Juniper(+)-Junenol(1S,2S,4aR,8aS)-2-Isopropyl-4a-methyl-8-methylenedecahydronaphthalen-1-ol(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol(1S-(1alpha,2beta,4abeta,8aalpha))-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenol1-Naphthalenol, decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, (1S,2S,4aR,8aS)-472-07-1Eudesm-4(14)-en-6alpha-olUNII-Z3209PC5TCZ3209PC5TC
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031654
Npass
NPC310862
Tcmid
11958
Pub Chem
6452077
Tcmbank
TCMBANKIN044112
Etcm Ingredient
Junenol
Itcmdb Generated
ITX-INGREDIENT-A660ED8A226F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+/m0/s1
Mol Wt
222.372
Mol Log P
3.775900000000003
In Ch Ikey
MSJJKJCIFIGTJY-LJISPDSOSA-N
Tcm Name
欧洲刺柏
Tcm Name2
OU ZHOU CI BAI
Mol2 Path
/TCM_database/2007_3d_all/11961.mol2
Reference
1521
Num Hdonors
1
Tcm Name En
Common Juniper
Drug Likeness
0.669
Num Hacceptors
1
Isomeric Smiles
CC(C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2[C@H]1O)C
Canonical Smiles
CC(C)C1CCC2(CCCC(=C)C2C1O)C
Herb Alias Names
(+)-Junenol472-07-1UNII-Z3209PC5TCZ3209PC5TCEudesm-4(14)-en-6alpha-ol(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol(1S-(1alpha,2beta,4abeta,8aalpha))-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenol(1S,2S,4aR,8aS)-2-Isopropyl-4a-methyl-8-methylenedecahydronaphthalen-1-ol1-Naphthalenol, decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, (1S,2S,4aR,8aS)-
Molecular Weight
222.200
Molecular Weight
222.37 g/mol
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.020
Quantitative Estimate Of Drug Likeness（Qed）
0.669