IngredientID 15866

Cyclo-(leu-tyr)

C15H20N2O3

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Herb: 4Ingredient: 1Target: 22Links: 28

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 15866
Core Entity Id: 20803
Source Entity Count: 1
Preferred Name: Cyclo-(leu-tyr)
Name En
Pubchem Id: 15550385
Smiles Canonical: CC(C)CC1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O
Molecular Formula: C15H20N2O3
Molecular Weight: 276.3360
Inchikey: GENSLUDVKWKQMX-STQMWFEESA-N
Inchi: InChI=1S/C15H20N2O3/c1-9(2)7-12-14(19)17-13(15(20)16-12)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8H2,1-2H3,(H,16,20)(H,17,19)/t12-,13-/m0/s1
Isomeric Smiles: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O
Cas Id
Ob Score: 111.1600
Mol Logp: 0.9640
Num H Donors: 3
Num H Acceptors: 3
Num Rotatable Bonds: 4
Drug Likeness: 0.7660
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Cyclo-(Leu-Tyr)

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Cyclo-(Leu-Tyr)

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Cyclo-(Leu-Tyr)

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Cyclo-(leu-tyr)

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Cyclo-(leu-tyr)

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

cyclo-(leu-tyr)

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

三七

Role

TCM_name

Source

TCMBank

Preferred

Name

SAN QI

Role

TCM_name2

Source

TCMBank

Preferred

Name

Sanchi

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione

Role

alias

Source

itcmdb_public

Preferred

Name

(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione

Role

alias

Source

HERB_v2

Preferred

Name

15266-87-2

Role

alias

Source

HERB_v2

Preferred

Name

15266-87-2

Role

alias

Source

itcmdb_public

Preferred

Name

3-(4-Hydroxybenzyl)-6-isobutyl-2,5-piperazinedione #

Role

alias

Source

HERB_v2

Preferred

Name

3-(4-Hydroxybenzyl)-6-isobutyl-2,5-piperazinedione #

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL190207

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL190207

Role

alias

Source

HERB_v2

Preferred

Name

Cis-Cyclo(Leucyl-Tyrosyl)

Role

alias

Source

HERB_v2

Preferred

Name

Cis-Cyclo(Leucyl-Tyrosyl)

Role

alias

Source

itcmdb_public

Preferred

Name

Cyclo-(l-leucyl-l-tyrosyl)

Role

alias

Source

itcmdb_public

Preferred

Name

Cyclo-(l-leucyl-l-tyrosyl)

Role

alias

Source

HERB_v2

Preferred

Name

F97474

Role

alias

Source

HERB_v2

Preferred

Name

F97474

Role

alias

Source

itcmdb_public

Preferred

Name

GENSLUDVKWKQMX-STQMWFEESA-N

Role

alias

Source

itcmdb_public

Preferred

Name

GENSLUDVKWKQMX-STQMWFEESA-N

Role

alias

Source

HERB_v2

Preferred

Name

cyclo(L-Tyr-L-Leu)

Role

alias

Source

HERB_v2

Preferred

Name

cyclo(L-Tyr-L-Leu)

Role

alias

Source

itcmdb_public

Preferred

Name

cyclo(l-leucinyl-l-tyrosinyl)

Role

alias

Source

HERB_v2

Preferred

Name

cyclo(l-leucinyl-l-tyrosinyl)

Role

alias

Source

itcmdb_public

Preferred

Name

Cyclo(Tyr-Leu)

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Cyclo(tyr-leu)

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

cyclo(Tyr-Leu)

Role

preferred

Source

TCMBank

Preferred

Yes

Name

3-((4-hydroxyphenyl)methyl)-6-(2-methylpropyl)piperazine-2,5-dione

Role

alias

Source

itcmdb_public

Preferred

Name

3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione

Role

alias

Source

HERB_v2

Preferred

Name

82863-65-8

Role

alias

Source

HERB_v2

Preferred

Name

AKOS040763470

Role

alias

Source

itcmdb_public

Preferred

Name

DA-72474

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID301345945

Role

alias

Source

itcmdb_public

Preferred

Name

HY-131115

Role

alias

Source

HERB_v2

Preferred

Name

MS-23930

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL14952819

Role

alias

Source

itcmdb_public

Preferred

Name

Cyclo(leucyltyrosyl); (3s,6s)-form

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

cyclo(leucyltyrosyl); (3s,6s)-form

Role

preferred

Source

TCMBank

Preferred

Yes

Aliases

Additional names normalized into the restored final schema.

三七SAN QISanchi(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione15266-87-23-(4-Hydroxybenzyl)-6-isobutyl-2,5-piperazinedione #CHEMBL190207Cis-Cyclo(Leucyl-Tyrosyl)Cyclo-(l-leucyl-l-tyrosyl)F97474GENSLUDVKWKQMX-STQMWFEESA-Ncyclo(L-Tyr-L-Leu)cyclo(l-leucinyl-l-tyrosinyl)Cyclo(Tyr-Leu)3-((4-hydroxyphenyl)methyl)-6-(2-methylpropyl)piperazine-2,5-dione3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione82863-65-8AKOS040763470DA-72474DTXSID301345945HY-131115MS-23930SCHEMBL14952819Cyclo(leucyltyrosyl); (3s,6s)-form

Cross References

Trusted external identifiers retained for this final record.

Cas

15266-87-2

Herb

HBIN022295HBIN022384HBIN022290

Npass

NPC118202NPC85845

Tcmid

450840167

Tcmsp

MOL006956

Sym Map

SMIT00668SMIT23212

Tcm Id

5278

Pub Chem

15550385572422

Tcmbank

TCMBANKIN037364TCMBANKIN004762TCMBANKIN035686

Etcm Ingredient

cyclo-(leu-tyr)

Itcmdb Generated

ITX-INGREDIENT-A42272D42A8CITX-INGREDIENT-59E343F9ADAC

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C15H20N2O3/c1-9(2)7-12-14(19)17-13(15(20)16-12)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8H2,1-2H3,(H,16,20)(H,17,19)/t12-,13-/m0/s1

Mol Wt

276.336

Smiles

CC(C)CC1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O

Mol Log P

0.9639999999999997

Version

v1,v2

In Ch Ikey

GENSLUDVKWKQMX-STQMWFEESA-N

Ob Score

111.16111.160374111.1603742

Suppress

Tcm Name

三七

Tcm Name2

SAN QI

Mol2 Path

/TCM_database/2007_3d_all/04509.mol2

Reference

2487, 4551

Num Hdonors

Tcm Name En

Sanchi

Drug Likeness

0.766

Num Hacceptors

Isomeric Smiles

CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O

Molecule Weight

276.37

Canonical Smiles

CC(C)CC1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O

Herb Alias Names

cyclo(L-Tyr-L-Leu)Cis-Cyclo(Leucyl-Tyrosyl)Cyclo-(l-leucyl-l-tyrosyl)cyclo(l-leucinyl-l-tyrosinyl)CHEMBL190207GENSLUDVKWKQMX-STQMWFEESA-NF974743-(4-Hydroxybenzyl)-6-isobutyl-2,5-piperazinedione #(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione15266-87-2

Molecular Weight

276.150

Molecular Weight

276.33 g/mol

Molecule Formula

C15H20N2O3

Molecular Formula

C15H20N2O3

Molecular Formula

C15H20N2O3

Molecular Formula

C15H20N2O3

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.143

Quantitative Estimate Of Drug Likeness（Qed）

0.766