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
- 19216
- Core Entity Id
- 24538
- Source Entity Count
- 1
- Preferred Name
- Fistucacidin
- Name En
- Pubchem Id
- 5317352
- Smiles Canonical
- C1=CC(=CC=C1C2C(C(C3=C(O2)C(=C(C=C3)O)O)O)O)O
- Molecular Formula
- C15H14O6
- Molecular Weight
- 290.2710
- Inchikey
- JSZRJOLRIBESNT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)14-13(20)11(18)9-5-6-10(17)12(19)15(9)21-14/h1-6,11,13-14,16-20H
- Isomeric Smiles
- C1=CC(=CC=C1C2C(C(C3=C(O2)C(=C(C=C3)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3314
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fistucacidin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fistucacidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
fistucacidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,4-dihydro-2-(4-hydroxyphenyl)-2h-1-benzopyran-3 ,4,7,8-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-dihydro-2-(4-hydroxyphenyl)-2h-1-benzopyran-3 ,4,7,8-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,4-dihydro-2-(4-hydroxyphenyl)-2h-1-benzopyran-3 ,4,7,8-tetrol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026515
Npass
NPC16215
Tcmid
30963
Pub Chem
5317352
Tcmbank
TCMBANKIN031568
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)14-13(20)11(18)9-5-6-10(17)12(19)15(9)21-14/h1-6,11,13-14,16-20H
Mol Wt
290.271
Smiles
C1=CC(=CC=C1C2C(C(C3=C(O2)C(=C(C=C3)O)O)O)O)O
Mol Log P
1.331400000000001
In Ch Ikey
JSZRJOLRIBESNT-UHFFFAOYSA-N
Num Hdonors
5
Drug Likeness
0.507
Num Hacceptors
6
Isomeric Smiles
C1=CC(=CC=C1C2C(C(C3=C(O2)C(=C(C=C3)O)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1C2C(C(C3=C(O2)C(=C(C=C3)O)O)O)O)O
Herb Alias Names
3,4-dihydro-2-(4-hydroxyphenyl)-2h-1-benzopyran-3 ,4,7,8-tetrol
Molecular Formula
C15H14O6
Molecular Formula
C15H14O6
Num Rotatable Bonds
1