Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30505
- Core Entity Id
- 37094
- Source Entity Count
- 1
- Preferred Name
- Poriol
- Name En
- Pubchem Id
- 301798
- Smiles Canonical
- CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O
- Molecular Formula
- C16H14O5
- Molecular Weight
- 286.2830
- Inchikey
- SLFZBNOERHGNMI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-6,13,17-18,20H,7H2,1H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O
- Cas Id
- 14348-16-4
- Ob Score
- 38.4530
- Mol Logp
- 2.8183
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Poriol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Poriol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Poriol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Poriol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
poriol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
poriol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2S)-4',5,7-Trihydroxy-6-methylflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-4',5,7-Trihydroxy-6-methylflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
14348-16-4
Role
alias
Source
HERB_v2
Preferred
No
Name
14348-16-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydro-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydro-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methylchroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methylchroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
70460-58-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
70460-58-1
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000876957
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000876957
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-180246
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC180246
Role
alias
Source
HERB_v2
Preferred
No
Name
6-C-Methylnaringenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-c-methylnaringenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
台湾粗榧
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN CU FEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Wilson Plumyew
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2r)-5,7,4'-trihydroxy-6-methylflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
206560-98-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID801133583
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-4',5,7-Trihydroxy-6-methylflavanone14348-16-45,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydro-4H-chromen-4-one5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methylchroman-4-one70460-58-1MLS000876957NSC-180246NSC1802466-C-Methylnaringenin台湾粗榧TAI WAN CU FEIWilson Plumyew(2R)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-4H-1-benzopyran-4-one(2r)-5,7,4'-trihydroxy-6-methylflavanone206560-98-7DTXSID801133583
Cross References
Trusted external identifiers retained for this final record.
Cas
14348-16-4
Herb
HBIN040591HBIN012297
Npass
NPC324386NPC52
Tcmid
14606
Tcmsp
MOL012444
Sym Map
SMIT13195
Pub Chem
30179859072631
Tcmbank
TCMBANKIN025145TCMBANKIN059731TCMBANKIN032768
Etcm Ingredient
poriol6-C-Methylnaringenin
Itcmdb Generated
ITX-INGREDIENT-D4575A9C1593ITX-INGREDIENT-DE4AEED9121DITX-INGREDIENT-EDA825146AA6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-6,13,17-18,20H,7H2,1H3
Mol Wt
286.283
Cas Id
14348-16-4
Smiles
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O
Mol Log P
2.818320000000002
Version
v1,v2
In Ch Ikey
SLFZBNOERHGNMI-UHFFFAOYSA-N
Ob Score
38.4529798238.4529838.453
Suppress
0
Tcm Name
台湾粗榧
Tcm Name2
TAI WAN CU FEI
Mol2 Path
/TCM_database/2007_3d_all/14614.mol2
Reference
4253
Num Hdonors
3
Tcm Name En
Wilson Plumyew
Drug Likeness
0.75
Num Hacceptors
5
Isomeric Smiles
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O
Molecule Weight
286.3
Canonical Smiles
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O
Herb Alias Names
14348-16-45,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-oneNSC180246NSC-180246(2S)-4',5,7-Trihydroxy-6-methylflavanone5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methylchroman-4-oneMLS0008769575,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydro-4H-chromen-4-one70460-58-1
Molecular Weight
286.080
Molecular Weight
286.28
Molecular Formula
C16H14O5
Molecular Formula
C16H14O5
Molecular Formula
C16H14O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.208
Quantitative Estimate Of Drug Likeness（Qed）
0.750