Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14346
- Core Entity Id
- 19113
- Source Entity Count
- 1
- Preferred Name
- Chrysarobin
- Name En
- Pubchem Id
- 221502
- Smiles Canonical
- CC1=CC2=C(C=C3C(=C2)C=CC(=C3O)O)C(=C1)O
- Molecular Formula
- C15H12O3
- Molecular Weight
- 240.2580
- Inchikey
- CBEBNXQBODNTIB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O3/c1-8-4-10-6-9-2-3-13(16)15(18)12(9)7-11(10)14(17)5-8/h2-7,16-18H,1H3
- Isomeric Smiles
- CC1=CC2=C(C=C3C(=C2)C=CC(=C3O)O)C(=C1)O
- Cas Id
- Ob Score
- Mol Logp
- 3.4182
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chrysarobin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chrysarobin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chrysarobin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
chrysarobin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-methylanthracene-1,2,8-triol
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L5AD0
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1939839
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1939839
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1939839
Role
alias
Source
TCMBank
Preferred
No
Name
CTK6B5714
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_004975
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_004975
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCI60_004975
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-112922
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-112922
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-112922
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-6152
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-6152
Role
alias
Source
TCMBank
Preferred
No
Name
NSC6152
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC1693303
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6-methylanthracene-1,2,8-triolAC1L5AD0CHEMBL1939839CTK6B5714NCI60_004975NSC-112922NSC-6152NSC6152ZINC1693303
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020442
Npass
NPC176893
Tcmid
3598
Sym Map
SMIT14656
Tcm Id
178085735
Pub Chem
221502
Tcmbank
TCMBANKIN005634
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O3/c1-8-4-10-6-9-2-3-13(16)15(18)12(9)7-11(10)14(17)5-8/h2-7,16-18H,1H3
Mol Wt
240.258
Smiles
CC1=CC2=C(C=C3C(=C2)C=CC(=C3O)O)C(=C1)O
Mol Log P
3.418220000000001
Version
v1,v2
In Ch Ikey
CBEBNXQBODNTIB-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.417
Num Hacceptors
3
Isomeric Smiles
CC1=CC2=C(C=C3C(=C2)C=CC(=C3O)O)C(=C1)O
Canonical Smiles
CC1=CC2=C(C=C3C(=C2)C=CC(=C3O)O)C(=C1)O
Herb Alias Names
NSC6152NSC-112922CHEMBL1939839NSC-6152NSC112922NCI60_004975
Molecular Weight
240.25 g/mol
Molecule Formula
C15H12O3
Molecular Formula
C15H12O3
Molecular Formula
C15H12O3
Num Rotatable Bonds
0