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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6644
- Core Entity Id
- 10563
- Source Entity Count
- 1
- Preferred Name
- 5,7,4'-trihydroxy-3,8,3'-trimethoxyflavone
- Name En
- Pubchem Id
- 5386961
- Smiles Canonical
- COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O
- Molecular Formula
- C18H16O8
- Molecular Weight
- 360.3180
- Inchikey
- XZGZRRSEIISPEP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)15-18(25-3)14(22)13-10(20)7-11(21)16(24-2)17(13)26-15/h4-7,19-21H,1-3H3
- Isomeric Smiles
- COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6026
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7,4'-Trihydroxy-3,8,3'-trimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7,4'-trihydroxy-3,8,3'-trimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,7,4'-trihydroxy-3,8,3'-trimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cyanostegia angustifolia
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
14965-08-3
Role
alias
Source
HERB_v2
Preferred
No
Name
14965-08-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
82784-42-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
82784-42-7
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavone, 4',5,7-trihydroxy-3,3',8-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavone, 4',5,7-trihydroxy-3,3',8-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gossypetin 3,3',8-trimethylether
Role
alias
Source
HERB_v2
Preferred
No
Name
Gossypetin 3,3',8-trimethylether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gossypetin 3,8,3'-trimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Gossypetin 3,8,3'-trimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-618932
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-618932
Role
alias
Source
itcmdb_public
Preferred
No
Name
RR3F75GKR3
Role
alias
Source
HERB_v2
Preferred
No
Name
RR3F75GKR3
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Cyanostegia angustifolia14965-08-35,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxychromen-4-one82784-42-7Flavone, 4',5,7-trihydroxy-3,3',8-trimethoxy-Gossypetin 3,3',8-trimethyletherGossypetin 3,8,3'-trimethyl etherNSC-618932RR3F75GKR3
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011211
Npass
NPC253634
Tcmid
21841
Pub Chem
5386961
Tcmbank
TCMBANKIN041258
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)15-18(25-3)14(22)13-10(20)7-11(21)16(24-2)17(13)26-15/h4-7,19-21H,1-3H3
Mol Wt
360.318
Mol Log P
2.602600000000001
In Ch Ikey
XZGZRRSEIISPEP-UHFFFAOYSA-N
Tcm Name2
Cyanostegia angustifolia
Mol2 Path
/TCM_database/2007_3d_all/21857.mol2
Reference
1521, 3850
Num Hdonors
3
Drug Likeness
0.65
Num Hacceptors
8
Isomeric Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O
Canonical Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O
Herb Alias Names
Gossypetin 3,8,3'-trimethyl ether14965-08-3Gossypetin 3,3',8-trimethyletherRR3F75GKR35,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxychromen-4-oneFlavone, 4',5,7-trihydroxy-3,3',8-trimethoxy-NSC-61893282784-42-75,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one
Molecular Weight
360.3 g/mol
Molecular Formula
C18H16O8
Num Rotatable Bonds
4