Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12716
- Core Entity Id
- 17305
- Source Entity Count
- 1
- Preferred Name
- Bilobanone
- Name En
- Pubchem Id
- 12308753
- Smiles Canonical
- CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C
- Molecular Formula
- C15H20O2
- Molecular Weight
- 232.3230
- Inchikey
- ORQIZUYAGXZVPI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O2/c1-10(2)6-14-7-13(9-17-14)12-5-4-11(3)15(16)8-12/h4,7,9-10,12H,5-6,8H2,1-3H3
- Isomeric Smiles
- CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C
- Cas Id
- 17015-33-7
- Ob Score
- 37.9970
- Mol Logp
- 3.8709
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bilobanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bilobanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Bilobanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bilobanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bilobanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(5S)-2-methyl-5-[5-(2-methylpropyl)furan-3-yl]cyclohex-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(5S)-5-(5-isobutyl-3-furyl)-2-methyl-1-cyclohex-2-enone
Role
alias
Source
TCMBank
Preferred
No
Name
(5S)-5-(5-isobutyl-3-furyl)-2-methyl-cyclohex-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-Bilobanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-Bilobanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
17015-33-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
17015-33-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2-METHYL-5-[5-(2-METHYLPROPYL)FURAN-3-YL]CYCLOHEX-2-EN-1-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-METHYL-5-[5-(2-METHYLPROPYL)FURAN-3-YL]CYCLOHEX-2-EN-1-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bilobanon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bilobanon
Role
alias
Source
HERB_v2
Preferred
No
Name
bilobanone
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(5S)-2-methyl-5-[5-(2-methylpropyl)furan-3-yl]cyclohex-2-en-1-one(5S)-5-(5-isobutyl-3-furyl)-2-methyl-1-cyclohex-2-enone(5S)-5-(5-isobutyl-3-furyl)-2-methyl-cyclohex-2-en-1-one(S)-Bilobanone17015-33-72-METHYL-5-[5-(2-METHYLPROPYL)FURAN-3-YL]CYCLOHEX-2-EN-1-ONEBilobanon
Cross References
Trusted external identifiers retained for this final record.
Cas
17015-33-7
Herb
HBIN018515
Tcmid
2378
Tcmsp
MOL011579
Sym Map
SMIT12457
Tcm Id
6207
Pub Chem
123087535315457
Tcmbank
TCMBANKIN008293
Etcm Ingredient
Bilobanone
Itcmdb Generated
ITX-INGREDIENT-1687F0A96E01
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H20O2/c1-10(2)6-14-7-13(9-17-14)12-5-4-11(3)15(16)8-12/h4,7,9-10,12H,5-6,8H2,1-3H3
Mol Wt
232.323
Cas Id
17015-33-7
Smiles
CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C
Mol Log P
3.870900000000003
Version
v1,v2
In Ch Ikey
ORQIZUYAGXZVPI-UHFFFAOYSA-N
Ob Score
37.99737.9970637.99706047
Suppress
0
Num Hdonors
0
Drug Likeness
0.791
Num Hacceptors
2
Isomeric Smiles
CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C
Molecule Weight
232.35
Canonical Smiles
CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C
Herb Alias Names
(S)-Bilobanone17015-33-72-METHYL-5-[5-(2-METHYLPROPYL)FURAN-3-YL]CYCLOHEX-2-EN-1-ONEBilobanon
Molecular Weight
232.150
Molecular Weight
232.32
Molecular Formula
C15H20O2
Molecular Formula
C15H20O2
Molecular Formula
C15H20O2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.436
Quantitative Estimate Of Drug Likeness（Qed）
0.743