Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13198
- Core Entity Id
- 17838
- Source Entity Count
- 1
- Preferred Name
- Burttinol c
- Name En
- Pubchem Id
- 5315558
- Smiles Canonical
- CC(=CCC1=C(C=CC2=C1OCC(=C2)C3=C(C=C(C=C3)O)OC)O)C
- Molecular Formula
- C21H22O4
- Molecular Weight
- 338.4030
- Inchikey
- VRTQHEPVVCLRMQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H22O4/c1-13(2)4-7-18-19(23)9-5-14-10-15(12-25-21(14)18)17-8-6-16(22)11-20(17)24-3/h4-6,8-11,22-23H,7,12H2,1-3H3
- Isomeric Smiles
- CC(=CCC1=C(C=CC2=C1OCC(=C2)C3=C(C=C(C=C3)O)OC)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.5481
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Burttinol C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Burttinol c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Burttinol c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
山地刺桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN DI CI TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mountain Immortelle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-(4-hydroxy-2-methoxyphenyl)-8-(3-methylbut-2-enyl)-2H-chromen-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-hydroxy-2-methoxyphenyl)-8-(3-methylbut-2-enyl)-2H-chromen-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
461696-09-3
Role
alias
Source
HERB_v2
Preferred
No
Name
461696-09-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Erypoegin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Erypoegin A
Role
alias
Source
HERB_v2
Preferred
No
Name
VRTQHEPVVCLRMQ-UHFFFAOYSA-
Role
alias
Source
HERB_v2
Preferred
No
Name
VRTQHEPVVCLRMQ-UHFFFAOYSA-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山地刺桐SHAN DI CI TONGMountain Immortelle3-(4-hydroxy-2-methoxyphenyl)-8-(3-methylbut-2-enyl)-2H-chromen-7-ol461696-09-3Erypoegin AVRTQHEPVVCLRMQ-UHFFFAOYSA-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019059
Tcmid
2772
Pub Chem
5315558
Tcmbank
TCMBANKIN041271
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H22O4/c1-13(2)4-7-18-19(23)9-5-14-10-15(12-25-21(14)18)17-8-6-16(22)11-20(17)24-3/h4-6,8-11,22-23H,7,12H2,1-3H3
Mol Wt
338.403
Mol Log P
4.548100000000005
In Ch Ikey
VRTQHEPVVCLRMQ-UHFFFAOYSA-N
Tcm Name
山地刺桐
Tcm Name2
SHAN DI CI TONG
Mol2 Path
/TCM_database/2007_3d_all/02772.mol2
Reference
1972, 1986
Num Hdonors
2
Tcm Name En
Mountain Immortelle
Drug Likeness
0.803
Num Hacceptors
4
Isomeric Smiles
CC(=CCC1=C(C=CC2=C1OCC(=C2)C3=C(C=C(C=C3)O)OC)O)C
Canonical Smiles
CC(=CCC1=C(C=CC2=C1OCC(=C2)C3=C(C=C(C=C3)O)OC)O)C
Herb Alias Names
Erypoegin AVRTQHEPVVCLRMQ-UHFFFAOYSA-3-(4-hydroxy-2-methoxyphenyl)-8-(3-methylbut-2-enyl)-2H-chromen-7-ol461696-09-3
Molecular Weight
338.4 g/mol
Molecular Formula
C21H22O4
Num Rotatable Bonds
4