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
- 17124
- Core Entity Id
- 22203
- Source Entity Count
- 1
- Preferred Name
- Dihydrocyperaquinone
- Name En
- Pubchem Id
- 33771
- Smiles Canonical
- CC1=COC2=C1C(=O)C3=C(C2=O)OC(=C(C)C)C3
- Molecular Formula
- C14H12O4
- Molecular Weight
- 244.2460
- Inchikey
- RMJXXSFMQXHKAC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H12O4/c1-6(2)9-4-8-11(15)10-7(3)5-17-14(10)12(16)13(8)18-9/h5H,4H2,1-3H3
- Isomeric Smiles
- CC1=COC2=C1C(=O)C3=C(C2=O)OC(=C(C)C)C3
- Cas Id
- Ob Score
- Mol Logp
- 2.9353
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydrocyperaquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydrocyperaquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
dihydrocyperaquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
27304-02-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
27304-02-5
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50181752
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50181752
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
27304-02-5DTXSID50181752
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023863
Npass
NPC186052
Tcmid
5578
Pub Chem
33771
Tcmbank
TCMBANKIN008130
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H12O4/c1-6(2)9-4-8-11(15)10-7(3)5-17-14(10)12(16)13(8)18-9/h5H,4H2,1-3H3
Mol Wt
244.246
Smiles
CC1=COC2=C1C(=O)C3=C(C2=O)OC(=C(C)C)C3
Mol Log P
2.935320000000002
In Ch Ikey
RMJXXSFMQXHKAC-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.704
Num Hacceptors
4
Isomeric Smiles
CC1=COC2=C1C(=O)C3=C(C2=O)OC(=C(C)C)C3
Canonical Smiles
CC1=COC2=C1C(=O)C3=C(C2=O)OC(=C(C)C)C3
Herb Alias Names
27304-02-5DTXSID50181752
Molecular Weight
244.24 g/mol
Molecular Formula
C14H12O4
Molecular Formula
C14H12O4
Num Rotatable Bonds
0