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
- 29430
- Core Entity Id
- 35897
- Source Entity Count
- 1
- Preferred Name
- Perilloside c
- Name En
- Pubchem Id
- 73815070
- Smiles Canonical
- CC(=C)C1CCC(CC1)COC2C(C(C(C(O2)CO)O)O)O
- Molecular Formula
- C16H28O6
- Molecular Weight
- 316.3940
- Inchikey
- MONAHUOUARCHLM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H28O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h10-20H,1,3-8H2,2H3
- Isomeric Smiles
- CC(=C)C1CCC(CC1)COC2C(C(C(C(O2)CO)O)O)O
- Cas Id
- Ob Score
- 25.1866
- Mol Logp
- 0.1854
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Perilloside C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Perilloside C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Perilloside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Perilloside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
perilloside C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
perilloside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
146763-94-2
Role
alias
Source
HERB_v2
Preferred
No
Name
146763-94-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexyl)methoxy]oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexyl)methoxy]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:172108
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:172108
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID401175612
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401175612
Role
alias
Source
itcmdb_public
Preferred
No
Name
[trans-4-(1-Methylethenyl)cyclohexyl]methyl I(2)-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
[trans-4-(1-Methylethenyl)cyclohexyl]methyl I(2)-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
perilloside c
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
146763-94-22-(hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexyl)methoxy]oxane-3,4,5-triolCHEBI:172108DTXSID401175612[trans-4-(1-Methylethenyl)cyclohexyl]methyl I(2)-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039235
Tcmid
16920
Tcmsp
MOL006229
Sym Map
SMIT07879
Tcm Id
10843108441955
Pub Chem
73815070
Tcmbank
TCMBANKIN046144
Etcm Ingredient
perilloside C
Itcmdb Generated
ITX-INGREDIENT-58261CE42001
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
In Ch I
InChI=1S/C16H28O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h10-20H,1,3-8H2,2H3
Mol Wt
316.394
Smiles
CC(=C)C1CCC(CC1)COC2C(C(C(C(O2)CO)O)O)O
Mol Log P
0.1853999999999997
Version
v1,v2
In Ch Ikey
MONAHUOUARCHLM-UHFFFAOYSA-N
Ob Score
25.18662625.1866263925.187
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/16933.mol2
Reference
3170, 3169, 3168, 3167
Num Hdonors
4
Drug Likeness
0.54
Num Hacceptors
6
Isomeric Smiles
CC(=C)C1CCC(CC1)COC2C(C(C(C(O2)CO)O)O)O
Molecule Weight
302.41
Canonical Smiles
CC(=C)C1CCC(CC1)COC2C(C(C(C(O2)CO)O)O)O
Herb Alias Names
CHEBI:172108DTXSID401175612[trans-4-(1-Methylethenyl)cyclohexyl]methyl I(2)-D-glucopyranoside2-(hydroxymethyl)-6-[(4-prop-1-en-2-ylcyclohexyl)methoxy]oxane-3,4,5-triol146763-94-2
Molecular Weight
302.170
Molecular Weight
316.39 g/mol
Molecular Formula
C15H26O6
Molecular Formula
C16H28O6
Molecular Formula
C16H28O6
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.552