Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2850
- Core Entity Id
- 6358
- Source Entity Count
- 1
- Preferred Name
- (2s)-7,3＇-dihydroxy-4＇-methoxyflavan
- Name En
- Pubchem Id
- 44257179
- Smiles Canonical
- COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3)O)O
- Molecular Formula
- C16H16O4
- Molecular Weight
- 272.3000
- Inchikey
- KGTOSQKIOMIICT-AWEZNQCLSA-N
- Inchi
- InChI=1S/C16H16O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2,4-5,7-9,14,17-18H,3,6H2,1H3/t14-/m0/s1
- Isomeric Smiles
- COC1=C(C=C(C=C1)[C@@H]2CCC3=C(O2)C=C(C=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1727
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)- 7,3＇- dihydroxy- 4＇- methoxyflavan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s)-7,3＇-dihydroxy-4＇-methoxyflavan
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2s)-7,3＇-dihydroxy-4＇-methoxyflavan
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-3',7-Dihydroxy-4'-methoxyflavan
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-7,3'-Dihydroxy-4'-methoxyflavane
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-7,3'-Dihydroxy-4'-methoxyflavane
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2s)-3',7-dihydroxy-4'-methoxyflavan
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-(3-Hydroxy-4-methoxyphenyl)chroman-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-(3-Hydroxy-4-methoxyphenyl)chroman-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
162290-05-3
Role
alias
Source
HERB_v2
Preferred
No
Name
162290-05-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,3'-Dihydroxy-4'-methoxyflavan
Role
alias
Source
HERB_v2
Preferred
No
Name
7,3'-Dihydroxy-4'-methoxyflavan
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12020246
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12020246
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1487483
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1487483
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)- 7,3＇- dihydroxy- 4＇- methoxyflavan(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol(2S)-3',7-Dihydroxy-4'-methoxyflavan(2S)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol(2S)-7,3'-Dihydroxy-4'-methoxyflavane(S)-2-(3-Hydroxy-4-methoxyphenyl)chroman-7-ol162290-05-32H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (S)-7,3'-Dihydroxy-4'-methoxyflavanLMPK12020246SCHEMBL1487483
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006783
Tcmid
42861
Pub Chem
44257179
Tcmbank
TCMBANKIN006763
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H16O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2,4-5,7-9,14,17-18H,3,6H2,1H3/t14-/m0/s1
Mol Wt
272.3
Smiles
COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3)O)O
Mol Log P
3.172700000000003
In Ch Ikey
KGTOSQKIOMIICT-AWEZNQCLSA-N
Num Hdonors
2
Drug Likeness
0.881
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=C(C=C1)[C@@H]2CCC3=C(O2)C=C(C=C3)O)O
Canonical Smiles
COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3)O)O
Herb Alias Names
7,3'-Dihydroxy-4'-methoxyflavan162290-05-3(S)-2-(3-Hydroxy-4-methoxyphenyl)chroman-7-ol2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol(2S)-7,3'-Dihydroxy-4'-methoxyflavane(2s)-3',7-dihydroxy-4'-methoxyflavanSCHEMBL14874832H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (S)-(2S)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol(2S)-3',7-Dihydroxy-4'-methoxyflavan(2S)-3',7-Dihydroxy-4'-methoxyflavanLMPK12020246
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Num Rotatable Bonds
2