Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13922
- Core Entity Id
- 18644
- Source Entity Count
- 1
- Preferred Name
- Catenarin
- Name En
- Pubchem Id
- 10150
- Smiles Canonical
- CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O
- Molecular Formula
- C15H10O6
- Molecular Weight
- 286.2390
- Inchikey
- VWDXGKUTGQJJHJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O6/c1-5-2-8(17)11-12(13(5)19)14(20)7-3-6(16)4-9(18)10(7)15(11)21/h2-4,16-19H,1H3
- Isomeric Smiles
- CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5928
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Catenarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Catenarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Catenarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Catenarin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
翼核果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI HE GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Smoothfruit Ventilago
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,4,5,7-Tetrahydroxy-2-methylanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4,5,7-Tetrahydroxy-2-methylanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4,5,7-tetrahydroxy-2-methylanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4,5,7-tetrahydroxy-2-methylanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4,6,8-TETRAHYDROXY-3-METHYLANTHRAQUINONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4,6,8-TETRAHYDROXY-3-METHYLANTHRAQUINONE
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxyemodin
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxyemodin
Role
alias
Source
itcmdb_public
Preferred
No
Name
476-46-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
476-46-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 5308
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 5308
Role
alias
Source
HERB_v2
Preferred
No
Name
Caterarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caterarin
Role
alias
Source
HERB_v2
Preferred
No
Name
EHN5P96V6S
Role
alias
Source
itcmdb_public
Preferred
No
Name
EHN5P96V6S
Role
alias
Source
HERB_v2
Preferred
No
Name
Katenarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Katenarin
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
翼核果YI HE GUOSmoothfruit Ventilago1,4,5,7-Tetrahydroxy-2-methylanthraquinone1,4,5,7-tetrahydroxy-2-methylanthracene-9,10-dione1,4,6,8-TETRAHYDROXY-3-METHYLANTHRAQUINONE4-Hydroxyemodin476-46-0CCRIS 5308CaterarinEHN5P96V6SKatenarin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019952
Npass
NPC143438
Tcmid
3319
Pub Chem
10150
Tcmbank
TCMBANKIN047420
Etcm Ingredient
Catenarin
Itcmdb Generated
ITX-INGREDIENT-10D0956991B4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10O6/c1-5-2-8(17)11-12(13(5)19)14(20)7-3-6(16)4-9(18)10(7)15(11)21/h2-4,16-19H,1H3
Mol Wt
286.239
Mol Log P
1.592820000000001
In Ch Ikey
VWDXGKUTGQJJHJ-UHFFFAOYSA-N
Tcm Name
翼核果
Tcm Name2
YI HE GUO
Mol2 Path
/TCM_database/2007_3d_all/03319.mol2
Reference
3057
Num Hdonors
4
Tcm Name En
Smoothfruit Ventilago
Drug Likeness
0.466
Num Hacceptors
6
Isomeric Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O
Canonical Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O
Herb Alias Names
476-46-0KatenarinCaterarin4-Hydroxyemodin1,4,5,7-tetrahydroxy-2-methylanthracene-9,10-dione1,4,6,8-TETRAHYDROXY-3-METHYLANTHRAQUINONECCRIS 53081,4,5,7-Tetrahydroxy-2-methylanthraquinoneEHN5P96V6S
Molecular Weight
286.050
Molecular Weight
286.24 g/mol
Molecular Formula
C15H10O6
Molecular Formula
C15H10O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.942
Quantitative Estimate Of Drug Likeness（Qed）
0.550