Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30607
- Core Entity Id
- 37202
- Source Entity Count
- 1
- Preferred Name
- Prenylcitpressine
- Name En
- Pubchem Id
- 10066776
- Smiles Canonical
- CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(N2C)C(=C(C=C3)O)OC)C
- Molecular Formula
- C20H21NO5
- Molecular Weight
- 355.3900
- Inchikey
- CTBKLUWOTRWUBP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H21NO5/c1-10(2)5-6-11-14(23)9-15(24)16-17(11)21(3)18-12(19(16)25)7-8-13(22)20(18)26-4/h5,7-9,22-24H,6H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(N2C)C(=C(C=C3)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3258
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Prenylcitpressine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Prenylcitpressine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Prenylcitpressine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Prenylcitpressine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
文旦柚
Role
TCM_name
Source
TCMBank
Preferred
No
Name
WEN DAN YOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Buntan Pummelo*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
MEGxp0_001371
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001371
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
文旦柚WEN DAN YOUBuntan Pummelo*MEGxp0_001371
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040711
Tcmid
17815
Pub Chem
10066776
Tcmbank
TCMBANKIN039294
Etcm Ingredient
Prenylcitpressine
Itcmdb Generated
ITX-INGREDIENT-F9C85FFC3E70
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H21NO5/c1-10(2)5-6-11-14(23)9-15(24)16-17(11)21(3)18-12(19(16)25)7-8-13(22)20(18)26-4/h5,7-9,22-24H,6H2,1-4H3
Mol Wt
355.3900000000001
Mol Log P
3.325800000000004
In Ch Ikey
CTBKLUWOTRWUBP-UHFFFAOYSA-N
Tcm Name
文旦柚
Tcm Name2
WEN DAN YOU
Mol2 Path
/TCM_database/2007_3d_all/17829.mol2
Reference
3708, 3709, 3710, 3711, 3712, 3713
Num Hdonors
3
Tcm Name En
Buntan Pummelo*
Drug Likeness
0.495
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(N2C)C(=C(C=C3)O)OC)C
Canonical Smiles
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(N2C)C(=C(C=C3)O)OC)C
Herb Alias Names
MEGxp0_001371
Molecular Weight
355.140
Molecular Formula
C20H21NO5
Molecular Formula
C20H21NO5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.734
Quantitative Estimate Of Drug Likeness（Qed）
0.495