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
- 7000
- Core Entity Id
- 10962
- Source Entity Count
- 1
- Preferred Name
- 5-hydroxy-7-methoxy-3-(4'-hydroxybenzyl)-4-chromanone
- Name En
- Pubchem Id
- 404855
- Smiles Canonical
- COC1=CC(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- FULPZMATFBTFNA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O5/c1-21-13-7-14(19)16-15(8-13)22-9-11(17(16)20)6-10-2-4-12(18)5-3-10/h2-5,7-8,11,18-19H,6,9H2,1H3
- Isomeric Smiles
- COC1=CC(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5404
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.9110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Hydroxy-7-methoxy-3-(4'-hydroxybenzyl)-4-chromanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxy-7-methoxy-3-(4'-hydroxybenzyl)-4-chromanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-hydroxy-7-methoxy-3-(4'-hydroxybenzyl)-4-chromanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
禾草叶假北防风
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HE CAO YE JIA BEI FANG FENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
108001-32-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
108001-32-7
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-3-(4-hydroxybenzyl)-7-methoxychroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-3-(4-hydroxybenzyl)-7-methoxychroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-7-methoxy-3-(4-hydroxybenzyl)chroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-7-methoxy-3-(4-hydroxybenzyl)chroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761161
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761161
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1969778
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1969778
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8192
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8192
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC721399
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC721399
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0036374
Role
alias
Source
itcmdb_public
Preferred
No
Name
starbld0036374
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
禾草叶假北防风HE CAO YE JIA BEI FANG FENG108001-32-74H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-5-Hydroxy-3-(4-hydroxybenzyl)-7-methoxychroman-4-one5-Hydroxy-7-methoxy-3-(4-hydroxybenzyl)chroman-4-one5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-oneAKOS040761161CHEMBL1969778HY-N8192NSC721399starbld0036374
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011656
Npass
NPC284550
Tcmid
10408
Pub Chem
404855
Tcmbank
TCMBANKIN040317
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-21-13-7-14(19)16-15(8-13)22-9-11(17(16)20)6-10-2-4-12(18)5-3-10/h2-5,7-8,11,18-19H,6,9H2,1H3
Mol Wt
300.3099999999999
Mol Log P
2.540400000000002
In Ch Ikey
FULPZMATFBTFNA-UHFFFAOYSA-N
Tcm Name
禾草叶假北防风
Tcm Name2
HE CAO YE JIA BEI FANG FENG
Mol2 Path
/TCM_database/2007_3d_all/10409.mol2
Reference
3368
Num Hdonors
2
Drug Likeness
0.911
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O
Canonical Smiles
COC1=CC(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O
Herb Alias Names
108001-32-75-Hydroxy-3-(4-hydroxybenzyl)-7-methoxychroman-4-one4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one5-Hydroxy-7-methoxy-3-(4-hydroxybenzyl)chroman-4-oneNSC721399starbld0036374CHEMBL1969778HY-N8192AKOS040761161
Molecular Weight
300.3 g/mol
Molecular Formula
C17H16O5
Num Rotatable Bonds
3