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
- 34359
- Core Entity Id
- 41387
- Source Entity Count
- 1
- Preferred Name
- Tabularin
- Name En
- Pubchem Id
- 44258537
- Smiles Canonical
- COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OC
- Molecular Formula
- C19H18O8
- Molecular Weight
- 374.3450
- Inchikey
- WGBYXADIGKYTAA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H18O8/c1-23-12-8-15(25-3)14(24-2)5-9(12)13-6-10(20)17-16(27-13)7-11(21)19(26-4)18(17)22/h5-8,21-22H,1-4H3
- Isomeric Smiles
- COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.9056
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tabularin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tabularin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tabularin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
麻楝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MA LIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chittagong Chickrassy
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-6-methoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-6-methoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
63591-68-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
63591-68-4
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12111283
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12111283
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
麻楝MA LIANChittagong Chickrassy5,7-dihydroxy-6-methoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one63591-68-4LMPK12111283
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045328
Npass
NPC261918
Tcmid
20570
Pub Chem
44258537
Tcmbank
TCMBANKIN042144
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H18O8/c1-23-12-8-15(25-3)14(24-2)5-9(12)13-6-10(20)17-16(27-13)7-11(21)19(26-4)18(17)22/h5-8,21-22H,1-4H3
Mol Wt
374.3450000000001
Mol Log P
2.905600000000002
In Ch Ikey
WGBYXADIGKYTAA-UHFFFAOYSA-N
Tcm Name
麻楝
Tcm Name2
MA LIAN
Mol2 Path
/TCM_database/2007_3d_all/20586.mol2
Reference
3868
Num Hdonors
2
Tcm Name En
Chittagong Chickrassy
Drug Likeness
0.702
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OC
Canonical Smiles
COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OC
Herb Alias Names
LMPK121112835,7-dihydroxy-6-methoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one63591-68-4
Molecular Weight
374.3 g/mol
Molecular Formula
C19H18O8
Num Rotatable Bonds
5