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
- 24795
- Core Entity Id
- 30753
- Source Entity Count
- 1
- Preferred Name
- L-o-caffeoylhomoserine
- Name En
- Pubchem Id
- 641794
- Smiles Canonical
- C1=CC(=C(C=C1C=CC(=O)OCCC(C(=O)O)N)O)O
- Molecular Formula
- C13H15NO6
- Molecular Weight
- 281.2640
- Inchikey
- LZLSTORCTUAAEH-LXOKAJLYSA-N
- Inchi
- InChI=1S/C13H15NO6/c14-9(13(18)19)5-6-20-12(17)4-2-8-1-3-10(15)11(16)7-8/h1-4,7,9,15-16H,5-6,14H2,(H,18,19)/b4-2+/t9-/m0/s1
- Isomeric Smiles
- C1=CC(=C(C=C1/C=C/C(=O)OCC[C@@H](C(=O)O)N)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4562
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
L-O-Caffeoylhomoserine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
L-O-Caffeoylhomoserine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
L-o-caffeoylhomoserine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
L-o-caffeoylhomoserine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
小叶贯众
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO YE GUAN ZHONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Matteuccia Frond
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-Amino-4-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-butyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Amino-4-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-butyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C13H15NO6/c14-9(13(18)19)5-6-20-12(17)4-2-8-1-3-10(15)11(16)7-8/h1-4,7,9,15-16H,5-6,14H2,(H,18,19)/b4-2+/t9-/m0/s
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C13H15NO6/c14-9(13(18)19)5-6-20-12(17)4-2-8-1-3-10(15)11(16)7-8/h1-4,7,9,15-16H,5-6,14H2,(H,18,19)/b4-2+/t9-/m0/s
Role
alias
Source
HERB_v2
Preferred
No
Name
L-homoserine, O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-homoserine, O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-homoserine
Role
alias
Source
HERB_v2
Preferred
No
Name
O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-homoserine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
小叶贯众XIAO YE GUAN ZHONGMatteuccia Frond2-Amino-4-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-butyric acidInChI=1/C13H15NO6/c14-9(13(18)19)5-6-20-12(17)4-2-8-1-3-10(15)11(16)7-8/h1-4,7,9,15-16H,5-6,14H2,(H,18,19)/b4-2+/t9-/m0/sL-homoserine, O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-homoserine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033459
Npass
NPC96500
Tcmid
2909
Pub Chem
641794
Tcmbank
TCMBANKIN040169
Etcm Ingredient
L-O-Caffeoylhomoserine
Itcmdb Generated
ITX-INGREDIENT-F51A5306E79F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H15NO6/c14-9(13(18)19)5-6-20-12(17)4-2-8-1-3-10(15)11(16)7-8/h1-4,7,9,15-16H,5-6,14H2,(H,18,19)/b4-2+/t9-/m0/s1
Mol Wt
281.264
Mol Log P
0.4561999999999993
In Ch Ikey
LZLSTORCTUAAEH-LXOKAJLYSA-N
Tcm Name
小叶贯众
Tcm Name2
XIAO YE GUAN ZHONG
Mol2 Path
/TCM_database/2007_3d_all/02909.mol2
Reference
3764
Num Hdonors
4
Tcm Name En
Matteuccia Frond
Drug Likeness
0.338
Num Hacceptors
6
Isomeric Smiles
C1=CC(=C(C=C1/C=C/C(=O)OCC[C@@H](C(=O)O)N)O)O
Canonical Smiles
C1=CC(=C(C=C1C=CC(=O)OCCC(C(=O)O)N)O)O
Herb Alias Names
2-Amino-4-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-butyric acidO-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-homoserineL-homoserine, O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-InChI=1/C13H15NO6/c14-9(13(18)19)5-6-20-12(17)4-2-8-1-3-10(15)11(16)7-8/h1-4,7,9,15-16H,5-6,14H2,(H,18,19)/b4-2+/t9-/m0/s
Molecular Weight
281.090
Molecular Weight
281.26 g/mol
Molecular Formula
C13H15NO6
Molecular Formula
C13H15NO6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.027
Quantitative Estimate Of Drug Likeness（Qed）
0.338