Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2827
- Core Entity Id
- 6331
- Source Entity Count
- 1
- Preferred Name
- 2s)-5,7-dihydroxy-4'＇-methoxy-8-prenylflavanone
- Name En
- Pubchem Id
- 45272659
- Smiles Canonical
- CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)OC)O)O)C
- Molecular Formula
- C21H22O5
- Molecular Weight
- 354.4020
- Inchikey
- CTFJUDTWKJHYNX-IBGZPJMESA-N
- Inchi
- InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(26-21(15)20)13-5-7-14(25-3)8-6-13/h4-8,10,19,22-23H,9,11H2,1-3H3/t19-/m0/s1
- Isomeric Smiles
- CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 4.3216
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2S)-5,7-Dihydroxy-4'＇-Methoxy-8-Prenylflavanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2S)-5,7-Dihydroxy-4'＇-Methoxy-8-Prenylflavanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2S)-5,7-dihydroxy-4'＇-methoxy-8-prenylflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2s)-5,7-dihydroxy-4'＇-methoxy-8-prenylflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2s)-5,7-dihydroxy-4'＇-methoxy-8-prenylflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S)-5,7-dihydroxy-4'-methoxy-8-prenylflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-5,7-dihydroxy-4'-methoxy-8-prenylflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
120727-36-8
Role
alias
Source
HERB_v2
Preferred
No
Name
120727-36-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-o-methyl-8-prenylnaringenin
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-o-methyl-8-prenylnaringenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50339154
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50339154
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:70021
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:70021
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL556429
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL556429
Role
alias
Source
itcmdb_public
Preferred
No
Name
F94039
Role
alias
Source
HERB_v2
Preferred
No
Name
F94039
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27138362
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27138362
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-5,7-dihydroxy-4'-methoxy-8-prenylflavanone(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one120727-36-84'-o-methyl-8-prenylnaringeninBDBM50339154CHEBI:70021CHEMBL556429F94039Q27138362
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006761
Npass
NPC148757
Tcmid
41140
Sym Map
SMIT20827
Pub Chem
45272659
Tcmbank
TCMBANKIN006267
Itcmdb Generated
ITX-INGREDIENT-7CB72251E23F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(26-21(15)20)13-5-7-14(25-3)8-6-13/h4-8,10,19,22-23H,9,11H2,1-3H3/t19-/m0/s1
Mol Wt
354.4020000000001
Smiles
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)OC)O)O)C
Mol Log P
4.321600000000004
Version
v2
In Ch Ikey
CTFJUDTWKJHYNX-IBGZPJMESA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.8
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)OC)C
Canonical Smiles
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)OC)C
Herb Alias Names
4'-o-methyl-8-prenylnaringeninCHEMBL556429CHEBI:70021(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one(2S)-5,7-dihydroxy-4'-methoxy-8-prenylflavanone120727-36-8BDBM50339154F94039(2S)-5,7-dihydroxy-4''-methoxy-8-prenylflavanoneQ27138362
Molecular Formula
C21H22O5
Molecular Formula
C21H22O5
Num Rotatable Bonds
4