Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 491
- Core Entity Id
- 3739
- Source Entity Count
- 1
- Preferred Name
- 2,3-dihydrorobustaflavone
- Name En
- Pubchem Id
- 102441560
- Smiles Canonical
- C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O
- Molecular Formula
- C30H20O10
- Molecular Weight
- 540.4800
- Inchikey
- XUAORUWVUTVEEC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-9,11-12,24,31-35,38H,10H2
- Isomeric Smiles
- C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.0671
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.1810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-Dihydrorobustaflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,3-dihydrorobustaflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3-dihydrorobustaflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-dihydrorobustaflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-(5-((2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-(5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2253314
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2253314
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6-(5-((2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one6-(5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one6-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneCHEMBL2253314
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004028
Npass
NPC295564
Tcmid
41972
Pub Chem
10244156076315513
Tcmbank
TCMBANKIN006870
Etcm Ingredient
2,3-Dihydrorobustaflavone
Itcmdb Generated
ITX-INGREDIENT-61CB8BE2FFE3
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-9,11-12,24,31-35,38H,10H2
Mol Wt
540.4800000000004
Smiles
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O
Mol Log P
5.067100000000007
In Ch Ikey
XUAORUWVUTVEEC-UHFFFAOYSA-N
Num Hdonors
6
Drug Likeness
0.181
Num Hacceptors
10
Isomeric Smiles
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O
Canonical Smiles
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O
Herb Alias Names
6-(5-((2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one6-(5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one6-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneCHEMBL2253314
Molecular Weight
540.110
Molecular Weight
540.5 g/mol
Molecular Formula
C30H20O10
Molecular Formula
C30H20O10
Molecular Formula
C30H20O10
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.699
Quantitative Estimate Of Drug Likeness（Qed）
0.181