Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 7Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12878
- Core Entity Id
- 17484
- Source Entity Count
- 1
- Preferred Name
- Boc-d-tyr-oh
- Name En
- Pubchem Id
- 1549481
- Smiles Canonical
- CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O
- Molecular Formula
- C14H19NO5
- Molecular Weight
- 281.3080
- Inchikey
- CNBUSIJNWNXLQQ-LLVKDONJSA-N
- Inchi
- InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1
- Isomeric Smiles
- CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O
- Cas Id
- 60-18-4
- Ob Score
- 78.2670
- Mol Logp
- 1.9126
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Boc-D-Tyr-OH
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Boc-D-Tyr-OH
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Boc-D-Tyr-Oh
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Boc-d-tyr-oh
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Boc-d-tyr-oh
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-[(tert-butoxy-oxomethyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
15187_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
70642-86-3
Role
alias
Source
HERB_v2
Preferred
No
Name
70642-86-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Boc-D-tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Boc-D-tyrosine
Role
alias
Source
TCMBank
Preferred
No
Name
Boc-D-tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL302367
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL302367
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00063030
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00063030
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(tert-Butoxycarbonyl)-D-tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(tert-Butoxycarbonyl)-D-tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Boc-D-tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Boc-D-tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5307213
Role
alias
Source
TCMBank
Preferred
No
Name
n-t-boc-d-tyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-t-boc-d-tyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
t-Boc-D-Tyr-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
t-Boc-D-Tyr-OH
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid(2R)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propionic acid(2R)-2-[(tert-butoxy-oxomethyl)amino]-3-(4-hydroxyphenyl)propanoic acid(2R)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid15187_FLUKA70642-86-3Boc-D-tyrosineCHEMBL302367MFCD00063030N-(tert-Butoxycarbonyl)-D-tyrosineN-Boc-D-tyrosineST5307213n-t-boc-d-tyrosinet-Boc-D-Tyr-OH
Cross References
Trusted external identifiers retained for this final record.
Cas
60-18-4
Herb
HBIN018695
Tcmsp
MOL007347
Sym Map
SMIT08801
Pub Chem
1549481
Tcmbank
TCMBANKIN026880
Etcm Ingredient
Boc-D-Tyr-OH
Itcmdb Generated
ITX-INGREDIENT-5795E786093A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1
Mol Wt
281.308
Cas Id
60-18-4
Smiles
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O
Mol Log P
1.9126
Version
v1,v2
In Ch Ikey
CNBUSIJNWNXLQQ-LLVKDONJSA-N
Ob Score
78.26778.2672365478.267237
Suppress
0
Num Hdonors
3
Drug Likeness
0.783
Num Hacceptors
4
Isomeric Smiles
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O
Molecule Weight
281.34
Canonical Smiles
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O
Herb Alias Names
Boc-D-tyrosine70642-86-3N-Boc-D-tyrosineN-(tert-Butoxycarbonyl)-D-tyrosine(2R)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidCHEMBL302367MFCD00063030n-t-boc-d-tyrosinet-Boc-D-Tyr-OH
Molecular Weight
281.130
Molecular Weight
181.19
Molecular Formula
C14H19NO5
Molecular Formula
C9H11NO3
Molecular Formula
C14H19NO5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.783