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: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2837
- Core Entity Id
- 6342
- Source Entity Count
- 1
- Preferred Name
- (2s)-5-methoxy-flavan-7-ol
- Name En
- Pubchem Id
- 14885875
- Smiles Canonical
- COC1=CC(=CC2=C1CCC(O2)C3=CC=CC=C3)O
- Molecular Formula
- C16H16O3
- Molecular Weight
- 256.3010
- Inchikey
- UNCVBXFEZHBZKN-AWEZNQCLSA-N
- Inchi
- InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3/t14-/m0/s1
- Isomeric Smiles
- COC1=CC(=CC2=C1CC[C@H](O2)C3=CC=CC=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 3.4671
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-5-Methoxy Flavan-7-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S)-5-Methoxy flavan-7-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2s)-5-methoxy-flavan-7-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s)-5-methoxy-flavan-7-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-5-methoxy-flavan-7-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S)-3,4-Dihydro-5-methoxy-2-phenyl-2H-1-benzopyran-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-3,4-Dihydro-5-methoxy-2-phenyl-2H-1-benzopyran-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5-Methoxy-7-flavanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-5-Methoxy-7-flavanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5-Methoxyflavan-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5-Methoxyflavan-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2s)-5-methoxy flavan-7-ol
Role
alias
Source
TCMBank
Preferred
No
Name
35290-20-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
35290-20-1
Role
alias
Source
HERB_v2
Preferred
No
Name
6TGX2B7YLF
Role
alias
Source
HERB_v2
Preferred
No
Name
6TGX2B7YLF
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-59493
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-59493
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID501236413
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID501236413
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N10817
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N10817
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12020258
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12020258
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-5-Methoxy Flavan-7-Ol(2S)-3,4-Dihydro-5-methoxy-2-phenyl-2H-1-benzopyran-7-ol(2S)-5-Methoxy-7-flavanol(2S)-5-Methoxyflavan-7-ol35290-20-16TGX2B7YLFDA-59493DTXSID501236413HY-N10817LMPK12020258
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006771
Tcmid
1392124950
Sym Map
SMIT16498
Pub Chem
14885875342294
Tcmbank
TCMBANKIN033257
Etcm Ingredient
(2S)-5-Methoxy flavan-7-ol
Itcmdb Generated
ITX-INGREDIENT-6CF2BB1E986B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3/t14-/m0/s1
Mol Wt
256.301
Smiles
COC1=CC(=CC2=C1CCC(O2)C3=CC=CC=C3)O
Mol Log P
3.467100000000003
Version
v1
In Ch Ikey
UNCVBXFEZHBZKN-AWEZNQCLSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.894
Num Hacceptors
3
Isomeric Smiles
COC1=CC(=CC2=C1CC[C@H](O2)C3=CC=CC=C3)O
Canonical Smiles
COC1=CC(=CC2=C1CCC(O2)C3=CC=CC=C3)O
Herb Alias Names
(2S)-5-Methoxyflavan-7-ol35290-20-1(2S)-3,4-Dihydro-5-methoxy-2-phenyl-2H-1-benzopyran-7-ol(2S)-5-Methoxy flavan-7-ol(2S)-5-Methoxy-7-flavanol6TGX2B7YLFDTXSID501236413HY-N10817LMPK12020258DA-59493
Molecular Weight
272.140
Molecular Weight
256.3 g/mol
Molecular Formula
C17H20O3
Molecular Formula
C16H16O3
Molecular Formula
C16H16O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.774
Quantitative Estimate Of Drug Likeness（Qed）
0.744