Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 3Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15921
- Core Entity Id
- 20864
- Source Entity Count
- 1
- Preferred Name
- Cyclo-(pro-val)
- Name En
- Pubchem Id
- 6992261
- Smiles Canonical
- CC(C)C1C(=O)N2CCCC2C(=O)N1
- Molecular Formula
- C10H16N2O2
- Molecular Weight
- 196.2500
- Inchikey
- XLUAWXQORJEMBD-YUMQZZPRSA-N
- Inchi
- InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1
- Isomeric Smiles
- CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
- Cas Id
- Ob Score
- Mol Logp
- 0.1318
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclo-(Pro-Val)
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cyclo-(Pro-Val)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cyclo-(Pro-Val)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cyclo-(Pro-Val)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cyclo-(pro-val)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cyclo-(pro-val)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
三七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SAN QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sanchi
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3S,8aS)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,8aS)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,8aS)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,8aS)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S-trans)-Hexahydro-3-(1-methylethyl)-pyrrolo[1,2-a]pyrazine-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S-trans)-Hexahydro-3-(1-methylethyl)-pyrrolo[1,2-a]pyrazine-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2854-40-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
2854-40-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:69439
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:69439
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclo(-Pro-Val)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclo(-Pro-Val)
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD03093469
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD03093469
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-, (3S,8aS)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-, (3S,8aS)-
Role
alias
Source
HERB_v2
Preferred
No
Name
cyclo(L-Pro-L-Val)
Role
alias
Source
itcmdb_public
Preferred
No
Name
cyclo(L-Pro-L-Val)
Role
alias
Source
HERB_v2
Preferred
No
Name
cyclo(l-prolyl-l-valyl)
Role
alias
Source
HERB_v2
Preferred
No
Name
cyclo(l-prolyl-l-valyl)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclo(d)-pro-(d)-val
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cyclo(D)-Pro-(D)-Val
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3R,8AR)-3-isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,8aR)-3-(propan-2-yl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,8aR)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,8aR)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
22155-59-5
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:211635
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL460243
Role
alias
Source
itcmdb_public
Preferred
No
Name
EN300-20127713
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclo(prolylvalyl); (3s,8as)-form
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cyclo(prolylvalyl); (3s,8as)-form
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
三七SAN QISanchi(3S,8aS)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione(3S,8aS)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione(3S-trans)-Hexahydro-3-(1-methylethyl)-pyrrolo[1,2-a]pyrazine-1,4-dione2854-40-2CHEBI:69439Cyclo(-Pro-Val)MFCD03093469Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-, (3S,8aS)-cyclo(L-Pro-L-Val)cyclo(l-prolyl-l-valyl)Cyclo(d)-pro-(d)-val(3R,8AR)-3-isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione(3R,8aR)-3-(propan-2-yl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione(3R,8aR)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione(3R,8aR)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione22155-59-5CHEBI:211635CHEMBL460243EN300-20127713Cyclo(prolylvalyl); (3s,8as)-form
Cross References
Trusted external identifiers retained for this final record.
Cas
2854-40-2
Herb
HBIN022359HBIN022205HBIN022350
Npass
NPC214532NPC76297
Tcmid
453333958
Sym Map
SMIT14870
Tcm Id
5276
Pub Chem
69922616545869
Tcmbank
TCMBANKIN047056TCMBANKIN023397TCMBANKIN011942
Etcm Ingredient
Cyclo-(Pro-Val)
Itcmdb Generated
ITX-INGREDIENT-3D7BBECDBFB1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1
Mol Wt
196.25
Smiles
CC(C)C1C(=O)N2CCCC2C(=O)N1
Mol Log P
0.1318
Version
v1,v2
In Ch Ikey
XLUAWXQORJEMBD-YUMQZZPRSA-N
Suppress
0
Tcm Name
三七
Tcm Name2
SAN QI
Mol2 Path
/TCM_database/2007_3d_all/04534.mol2
Reference
2430, 2487, 4551
Num Hdonors
1
Tcm Name En
Sanchi
Drug Likeness
0.648
Num Hacceptors
2
Isomeric Smiles
CC(C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
Canonical Smiles
CC(C)C1C(=O)N2CCCC2C(=O)N1
Herb Alias Names
2854-40-2cyclo(L-Pro-L-Val)Cyclo(-Pro-Val)cyclo(l-prolyl-l-valyl)Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-, (3S,8aS)-CHEBI:69439(3S,8aS)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione(3S,8aS)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione(3S-trans)-Hexahydro-3-(1-methylethyl)-pyrrolo[1,2-a]pyrazine-1,4-dioneMFCD03093469
Molecular Weight
196.120
Molecular Weight
196.25 g/mol
Molecule Formula
C10H16N2O2
Molecular Formula
C10H16N2O2
Molecular Formula
C10H16N2O2
Molecular Formula
C10H16N2O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.037
Quantitative Estimate Of Drug Likeness（Qed）
0.648