Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21686
- Core Entity Id
- 27289
- Source Entity Count
- 1
- Preferred Name
- Humulane
- Name En
- Pubchem Id
- 5318100
- Smiles Canonical
- CC1CCCC(CCC(CCC1)(C)C)C
- Molecular Formula
- C15H30
- Molecular Weight
- 210.4050
- Inchikey
- UTJJFHJHTZKQSW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H30/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h13-14H,5-12H2,1-4H3
- Isomeric Smiles
- CC1CCCC(CCC(CCC1)(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.4192
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Humulane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Humulane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Humulane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Humulane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
humulane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,1,4,8-tetramethylcycloundecane
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1,4,8-tetramethylcycloundecane
Role
alias
Source
TCMBank
Preferred
No
Name
1,1,4,8-tetramethylcycloundecane
Role
alias
Source
itcmdb_public
Preferred
No
Name
430-19-3
Role
alias
Source
HERB_v2
Preferred
No
Name
430-19-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
430-19-3
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSWDH
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:36523
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:36523
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:36523
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID801319151
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID801319151
Role
alias
Source
HERB_v2
Preferred
No
Name
Humulane
Role
alias
Source
TCMBank
Preferred
No
Name
Q27116870
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27116870
Role
alias
Source
itcmdb_public
Preferred
No
Name
UTJJFHJHTZKQSW-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
humulane
Role
alias
Source
HERB_v2
Preferred
No
Name
humulane
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,1,4,8-tetramethylcycloundecane430-19-3AC1NSWDHCHEBI:36523DTXSID801319151Q27116870UTJJFHJHTZKQSW-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029601
Npass
NPC300138
Tcmid
9666
Sym Map
SMIT15788
Tcm Id
22894
Pub Chem
5318100
Tcmbank
TCMBANKIN022368
Etcm Ingredient
Humulane
Itcmdb Generated
ITX-INGREDIENT-252B4244001E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H30/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h13-14H,5-12H2,1-4H3
Mol Wt
210.4049999999999
Smiles
CC1CCCC(CCC(CCC1)(C)C)C
Mol Log P
5.419200000000005
Version
v1,v2
In Ch Ikey
UTJJFHJHTZKQSW-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.501
Num Hacceptors
0
Isomeric Smiles
CC1CCCC(CCC(CCC1)(C)C)C
Canonical Smiles
CC1CCCC(CCC(CCC1)(C)C)C
Herb Alias Names
1,1,4,8-tetramethylcycloundecane430-19-3CHEBI:36523DTXSID8013191511,1,4,8-tetramethylcycloundecanehumulaneQ27116870
Molecular Weight
210.230
Molecular Weight
210.4 g/mol
Molecule Formula
C15H30
Molecular Formula
C15H30
Molecular Formula
C15H30
Molecular Formula
C15H30
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.034
Quantitative Estimate Of Drug Likeness（Qed）
0.501