Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Reference: 5Target: 12Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19117
- Core Entity Id
- 24428
- Source Entity Count
- 1
- Preferred Name
- Farrerol
- Name En
- Pubchem Id
- 442396
- Smiles Canonical
- CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- DYHOLQACRGJEHX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3
- Isomeric Smiles
- CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O
- Cas Id
- Ob Score
- 42.6540
- Mol Logp
- 3.1267
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Farrerol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Farrerol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Farrerol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Farrerol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
farrerol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+/-)-4',5,7-Trihydroxy-6,8-dimethyl-flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+/-)-4',5,7-Trihydroxy-6,8-dimethyl-flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-Farrerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+/-)-Farrerol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-chromanone
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
24211-30-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
24211-30-1
Role
alias
Source
TCMBank
Preferred
No
Name
24211-30-1
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,8-DIMETHYL-4',5,7-TRIHYDROXYFLAVANONE
Role
alias
Source
HERB_v2
Preferred
No
Name
6,8-DIMETHYL-4',5,7-TRIHYDROXYFLAVANONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
95403-16-0
Role
alias
Source
HERB_v2
Preferred
No
Name
95403-16-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC-20237
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015965186
Role
alias
Source
TCMBank
Preferred
No
Name
C09734
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 246-080-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 246-080-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Farrerol
Role
alias
Source
TCMBank
Preferred
No
Name
Farrerol,(S)
Role
alias
Source
HERB_v2
Preferred
No
Name
Farrerol,(S)
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL928045
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL928045
Role
alias
Source
itcmdb_public
Preferred
No
Name
rac-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-1-Benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
rac-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-1-Benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+/-)-4',5,7-Trihydroxy-6,8-dimethyl-flavanone(+/-)-Farrerol(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-chromanone(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchroman-4-one24211-30-15,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchroman-4-one5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one6,8-DIMETHYL-4',5,7-TRIHYDROXYFLAVANONE95403-16-0AC-20237AKOS015965186C09734EINECS 246-080-2Farrerol,(S)SCHEMBL928045rac-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-1-Benzopyran-4-one
Cross References
Trusted external identifiers retained for this final record.
Cas
24211-30-1
Hit
C0703
Herb
HBIN026393
Npass
NPC167624
Tcmid
7735
Tcmsp
MOL012432
Sym Map
SMIT01417SMIT13184
Tcm Id
1281712818225074386
Pub Chem
44239691144
Tcmbank
TCMBANKIN009159
Etcm Ingredient
Farrerol
Itcmdb Generated
ITX-INGREDIENT-A866BB0778DD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3
Mol Wt
300.31
Smiles
CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O
Mol Log P
3.126740000000001
Version
v1,v2
In Ch Ikey
DYHOLQACRGJEHX-UHFFFAOYSA-N
Ob Score
42.65402312
Suppress
1
Num Hdonors
3
Drug Likeness
0.753
Num Hacceptors
5
Isomeric Smiles
CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O
Molecule Weight
300.3|300.33
Canonical Smiles
CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)C)O
Herb Alias Names
24211-30-15,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchroman-4-one6,8-DIMETHYL-4',5,7-TRIHYDROXYFLAVANONE5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one95403-16-0Farrerol,(S)(+/-)-4',5,7-Trihydroxy-6,8-dimethyl-flavanone(+/-)-Farrerolrac-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-1-Benzopyran-4-oneEINECS 246-080-2SCHEMBL928045
Molecular Weight
300.100
Molecular Weight
300.3 g/mol
Molecule Formula
C17H16O5
Molecular Formula
C17H16O5
Molecular Formula
C17H16O5
Molecular Formula
C17H16O5
Num Rotatable Bonds
1
Link Ingredient Id
1417.0
Fda Maximum Daily Dose (Fdamdd)
0.512
Quantitative Estimate Of Drug Likeness（Qed）
0.753