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
- 3334
- Core Entity Id
- 6893
- Source Entity Count
- 1
- Preferred Name
- 3,4-dihydro-4-(4'-hydroxyphenyl)-5,7-dihydroxycoumarin
- Name En
- Pubchem Id
- 71533499
- Smiles Canonical
- C1C(C2=C(C=C(C=C2OC1=O)O)O)C3=CC=C(C=C3)O
- Molecular Formula
- C15H12O5
- Molecular Weight
- 272.2560
- Inchikey
- YFBYVGLTPVOMJI-NSHDSACASA-N
- Inchi
- InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-14(19)20-13-6-10(17)5-12(18)15(11)13/h1-6,11,16-18H,7H2/t11-/m0/s1
- Isomeric Smiles
- C1[C@H](C2=C(C=C(C=C2OC1=O)O)O)C3=CC=C(C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2444
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,4-dihydro-4-(4'-hydroxyphenyl)-5,7-dihydroxycoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,4-dihydro-4-(4'-hydroxyphenyl)-5,7-dihydroxycoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,4-dihydro-4-(4'-hydroxyphenyl)-5,7-dihydroxycoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
SCHEMBL14774726
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14774726
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL14774726
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007352
Tcmid
41936
Pub Chem
71533499
Tcmbank
TCMBANKIN023505
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-14(19)20-13-6-10(17)5-12(18)15(11)13/h1-6,11,16-18H,7H2/t11-/m0/s1
Mol Wt
272.256
Smiles
C1C(C2=C(C=C(C=C2OC1=O)O)O)C3=CC=C(C=C3)O
Mol Log P
2.244400000000002
In Ch Ikey
YFBYVGLTPVOMJI-NSHDSACASA-N
Num Hdonors
3
Drug Likeness
0.547
Num Hacceptors
5
Isomeric Smiles
C1[C@H](C2=C(C=C(C=C2OC1=O)O)O)C3=CC=C(C=C3)O
Canonical Smiles
C1C(C2=C(C=C(C=C2OC1=O)O)O)C3=CC=C(C=C3)O
Herb Alias Names
SCHEMBL14774726
Molecular Formula
C15H12O5
Molecular Formula
C15H12O5
Num Rotatable Bonds
1