Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8543
- Core Entity Id
- 12665
- Source Entity Count
- 1
- Preferred Name
- 7-o-methyleriodictyol
- Name En
- Pubchem Id
- 1268276
- Smiles Canonical
- COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)O)O
- Molecular Formula
- C16H14O6
- Molecular Weight
- 302.2820
- Inchikey
- DSAJORLEPQBKDA-AWEZNQCLSA-N
- Inchi
- InChI=1S/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
- Isomeric Smiles
- COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC(=C(C=C3)O)O)O
- Cas Id
- 51857-11-5
- Ob Score
- 56.5610
- Mol Logp
- 2.5185
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-O-Methyleriodictyol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-O-Methyleriodictyol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-O-Methyleriodictyol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-O-Methyleriodictyol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-o-methyleriodictyol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-o-methyleriodictyol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromanone
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
0IT00NY6AC
Role
alias
Source
itcmdb_public
Preferred
No
Name
0IT00NY6AC
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-
Role
alias
Source
TCMBank
Preferred
No
Name
51857-11-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
51857-11-5
Role
alias
Source
TCMBank
Preferred
No
Name
51857-11-5
Role
alias
Source
HERB_v2
Preferred
No
Name
7-METHYLERIODICTYOL
Role
alias
Source
HERB_v2
Preferred
No
Name
7-METHYLERIODICTYOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-5,3',4'-trihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-5,3',4'-trihydroxyflavanone
Role
alias
Source
TCMBank
Preferred
No
Name
7-Methoxy-5,3',4'-trihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
7-O-methyl-eriodictyol
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-O-methyl-eriodictyol
Role
alias
Source
HERB_v2
Preferred
No
Name
7-o-methyleriodictyol
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID70199819
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70199819
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sterubin
Role
alias
Source
HERB_v2
Preferred
No
Name
Sterubin
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-0IT00NY6AC
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-0IT00NY6AC
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC01081535
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-chromanone(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-chroman-4-one0IT00NY6AC4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7-methoxy-, (S)-51857-11-57-METHYLERIODICTYOL7-Methoxy-5,3',4'-trihydroxyflavanone7-O-methyl-eriodictyolDTXSID70199819SterubinUNII-0IT00NY6ACZINC01081535
Cross References
Trusted external identifiers retained for this final record.
Cas
51857-11-5
Herb
HBIN013403
Npass
NPC12073
Tcmid
14410
Tcmsp
MOL000242
Sym Map
SMIT02885
Pub Chem
1268276
Tcmbank
TCMBANKIN046204
Etcm Ingredient
7-O-Methyleriodictyol
Itcmdb Generated
ITX-INGREDIENT-F3F135FC3C4D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
Mol Wt
302.282
Cas Id
51857-11-5
Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)O)O
Mol Log P
2.518500000000003
Version
v1,v2
In Ch Ikey
DSAJORLEPQBKDA-AWEZNQCLSA-N
Ob Score
56.56156.5613856.5613804
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/14417.mol2
Reference
4092
Num Hdonors
3
Drug Likeness
0.738
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC(=C(C=C3)O)O)O
Molecule Weight
302.3
Canonical Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC(=C(C=C3)O)O)O
Herb Alias Names
51857-11-5Sterubin0IT00NY6ACUNII-0IT00NY6AC(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one7-O-methyl-eriodictyol7-METHYLERIODICTYOL7-Methoxy-5,3',4'-trihydroxyflavanoneDTXSID70199819
Molecular Weight
302.080
Molecular Weight
302.28
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.588
Quantitative Estimate Of Drug Likeness（Qed）
0.738