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
- 24030
- Core Entity Id
- 29894
- Source Entity Count
- 1
- Preferred Name
- Kwanzoquinones a-g
- Name En
- Pubchem Id
- 11044722
- Smiles Canonical
- CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)C(=O)O
- Molecular Formula
- C16H10O6
- Molecular Weight
- 298.2500
- Inchikey
- KLGPUUVLVUHSOZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H10O6/c1-6-8(16(21)22)5-9-12(13(6)18)15(20)11-7(14(9)19)3-2-4-10(11)17/h2-5,17-18H,1H3,(H,21,22)
- Isomeric Smiles
- CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8798
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kwanzoquinones a-g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kwanzoquinones a-g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
kwanzoquinones A-G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
SCHEMBL5981442
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5981442
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL5981442
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032448
Npass
NPC253312
Tcmid
39484
Pub Chem
11044722
Tcmbank
TCMBANKIN000502
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H10O6/c1-6-8(16(21)22)5-9-12(13(6)18)15(20)11-7(14(9)19)3-2-4-10(11)17/h2-5,17-18H,1H3,(H,21,22)
Mol Wt
298.25
Smiles
CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)C(=O)O
Mol Log P
1.87982
In Ch Ikey
KLGPUUVLVUHSOZ-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.632
Num Hacceptors
5
Isomeric Smiles
CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)C(=O)O
Canonical Smiles
CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)C(=O)O
Herb Alias Names
SCHEMBL5981442
Molecular Formula
C16H10O6
Molecular Formula
C16H10O6
Num Rotatable Bonds
1