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
- 15343
- Core Entity Id
- 20221
- Source Entity Count
- 1
- Preferred Name
- Crassifogenin b
- Name En
- Pubchem Id
- 101733177
- Smiles Canonical
- C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)O)O)O)O)O
- Molecular Formula
- C17H12O6
- Molecular Weight
- 312.2770
- Inchikey
- YGXFJMBKKSJUBM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H12O6/c18-10-3-9-5-15(21)16(22)7-11(9)12(6-10)17(23)8-1-2-13(19)14(20)4-8/h1-7,18-22H
- Isomeric Smiles
- C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5988
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Crassifogenin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Crassifogenin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
crassifogenin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3,4-dihydroxyphenyl)(3,6,7-trihydroxynaphthalen-1-yl)methanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(3,4-dihydroxyphenyl)(3,6,7-trihydroxynaphthalen-1-yl)methanone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3,4-dihydroxyphenyl)(3,6,7-trihydroxynaphthalen-1-yl)methanone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021648
Npass
NPC119160
Tcmid
34906
Pub Chem
101733177
Tcmbank
TCMBANKIN018753
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H12O6/c18-10-3-9-5-15(21)16(22)7-11(9)12(6-10)17(23)8-1-2-13(19)14(20)4-8/h1-7,18-22H
Mol Wt
312.277
Smiles
C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)O)O)O)O)O
Mol Log P
2.598800000000002
In Ch Ikey
YGXFJMBKKSJUBM-UHFFFAOYSA-N
Num Hdonors
5
Drug Likeness
0.367
Num Hacceptors
6
Isomeric Smiles
C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)O)O)O)O)O
Canonical Smiles
C1=CC(=C(C=C1C(=O)C2=C3C=C(C(=CC3=CC(=C2)O)O)O)O)O
Herb Alias Names
(3,4-dihydroxyphenyl)(3,6,7-trihydroxynaphthalen-1-yl)methanone
Molecular Formula
C17H12O6
Molecular Formula
C17H12O6
Num Rotatable Bonds
2