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
- 17111
- Core Entity Id
- 22190
- Source Entity Count
- 1
- Preferred Name
- Dihydroconiferyl ferulate
- Name En
- Pubchem Id
- 102369824
- Smiles Canonical
- COC1=C(C=CC(=C1)CCCOC(=O)C=CC2=CC(=C(C=C2)O)OC)O
- Molecular Formula
- C20H22O6
- Molecular Weight
- 358.3900
- Inchikey
- YKUYJFZWORZCOC-JXMROGBWSA-N
- Inchi
- InChI=1S/C20H22O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h5-10,12-13,21-22H,3-4,11H2,1-2H3/b10-7+
- Isomeric Smiles
- COC1=C(C=CC(=C1)CCCOC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3042
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.4280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydroconiferyl ferulate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydroconiferyl ferulate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydroconiferyl ferulate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
骆驼蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LUO TUO HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Little Peganum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
BDBM50185660
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50185660
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3822893
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3822893
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
骆驼蒿LUO TUO HAOLittle PeganumBDBM50185660CHEMBL3822893
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023848
Tcmid
5564
Pub Chem
102369824
Tcmbank
TCMBANKIN038781
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H22O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h5-10,12-13,21-22H,3-4,11H2,1-2H3/b10-7+
Mol Wt
358.39
Mol Log P
3.304200000000002
In Ch Ikey
YKUYJFZWORZCOC-JXMROGBWSA-N
Tcm Name
骆驼蒿
Tcm Name2
LUO TUO HAO
Mol2 Path
/TCM_database/2007_3d_all/05565.mol2
Reference
3945
Num Hdonors
2
Tcm Name En
Little Peganum
Drug Likeness
0.428
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=CC(=C1)CCCOC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
Canonical Smiles
COC1=C(C=CC(=C1)CCCOC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Herb Alias Names
CHEMBL3822893BDBM50185660
Molecular Formula
C20H22O6
Num Rotatable Bonds
8