Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21727
- Core Entity Id
- 27337
- Source Entity Count
- 1
- Preferred Name
- Hydrangenol
- Name En
- Pubchem Id
- 119199
- Smiles Canonical
- C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O
- Molecular Formula
- C15H12O4
- Molecular Weight
- 256.2570
- Inchikey
- DGKDFNDHPXVXHW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2
- Isomeric Smiles
- C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5520
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydrangenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hydrangenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hydrangenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
hydrangenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+/-)-Hydrangenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-Hydrangenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-hydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-hydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
480-47-7
Role
alias
Source
HERB_v2
Preferred
No
Name
480-47-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 8569
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 8569
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5776
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:5776
Role
alias
Source
itcmdb_public
Preferred
No
Name
TL8PI7PHV1
Role
alias
Source
itcmdb_public
Preferred
No
Name
TL8PI7PHV1
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-TL8PI7PHV1
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-TL8PI7PHV1
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+/-)-Hydrangenol1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-hydroxyphenyl)-3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one480-47-78-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-oneCCRIS 8569CHEBI:5776TL8PI7PHV1UNII-TL8PI7PHV1
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029655
Npass
NPC261292
Tcmid
9699
Pub Chem
119199
Tcmbank
TCMBANKIN034749
Etcm Ingredient
Hydrangenol
Itcmdb Generated
ITX-INGREDIENT-E54B0B583C79
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2
Mol Wt
256.257
Smiles
C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O
Mol Log P
2.552000000000001
In Ch Ikey
DGKDFNDHPXVXHW-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.769
Num Hacceptors
4
Isomeric Smiles
C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O
Canonical Smiles
C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O
Herb Alias Names
480-47-7UNII-TL8PI7PHV1TL8PI7PHV13,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-oneCCRIS 8569CHEBI:5776(+/-)-Hydrangenol1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-hydroxyphenyl)-
Molecular Weight
256.070
Molecular Weight
256.25 g/mol
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.055
Quantitative Estimate Of Drug Likeness（Qed）
0.769