Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28462
- Core Entity Id
- 34821
- Source Entity Count
- 1
- Preferred Name
- Oleodaphnone
- Name En
- Pubchem Id
- 15478917
- Smiles Canonical
- CC1=C2CC(CC(=O)C(=C2CC1=O)C)C(=C)C
- Molecular Formula
- C15H18O2
- Molecular Weight
- 230.3070
- Inchikey
- UYMHDKPGFDYSRZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H18O2/c1-8(2)11-5-12-9(3)15(17)7-13(12)10(4)14(16)6-11/h11H,1,5-7H2,2-4H3
- Isomeric Smiles
- CC1=C2CC(CC(=O)C(=C2CC1=O)C)C(=C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.1474
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Oleodaphnone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Oleodaphnone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oleodaphnone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
油瑞香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YOU RUI XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Oily Daphne*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
AKOS040735183
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040735183
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
油瑞香YOU RUI XIANGOily Daphne*AKOS040735183
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038038
Npass
NPC159864
Tcmid
16060
Pub Chem
15478917
Tcmbank
TCMBANKIN050071
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O2/c1-8(2)11-5-12-9(3)15(17)7-13(12)10(4)14(16)6-11/h11H,1,5-7H2,2-4H3
Mol Wt
230.3069999999999
Mol Log P
3.147400000000002
In Ch Ikey
UYMHDKPGFDYSRZ-UHFFFAOYSA-N
Tcm Name
油瑞香
Tcm Name2
YOU RUI XIANG
Mol2 Path
/TCM_database/2007_3d_all/16070.mol2
Reference
2410
Num Hdonors
0
Tcm Name En
Oily Daphne*
Drug Likeness
0.648
Num Hacceptors
2
Isomeric Smiles
CC1=C2CC(CC(=O)C(=C2CC1=O)C)C(=C)C
Canonical Smiles
CC1=C2CC(CC(=O)C(=C2CC1=O)C)C(=C)C
Herb Alias Names
AKOS040735183
Molecular Weight
230.3 g/mol
Molecular Formula
C15H18O2
Num Rotatable Bonds
1