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
- 7872
- Core Entity Id
- 11924
- Source Entity Count
- 1
- Preferred Name
- 6-o-cis-p-coumaroyl-7-deoxyrehmaglutin a
- Name En
- Pubchem Id
- 11771909
- Smiles Canonical
- C1COC2C3C1C(CC3(CO2)O)OC(=O)C=CC4=CC=C(C=C4)O
- Molecular Formula
- C18H20O6
- Molecular Weight
- 332.3520
- Inchikey
- KPWKPPYUQLHPDZ-MRGVQOGQSA-N
- Inchi
- InChI=1S/C18H20O6/c19-12-4-1-11(2-5-12)3-6-15(20)24-14-9-18(21)10-23-17-16(18)13(14)7-8-22-17/h1-6,13-14,16-17,19,21H,7-10H2/b6-3+/t13-,14+,16+,17+,18+/m0/s1
- Isomeric Smiles
- C1CO[C@H]2[C@H]3[C@@H]1[C@@H](C[C@]3(CO2)O)OC(=O)/C=C/C4=CC=C(C=C4)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4610
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-O-cis-p-Coumaroyl-7-deoxyrehmaglutin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-O-cis-p-Coumaroyl-7-deoxyrehmaglutin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-o-cis-p-coumaroyl-7-deoxyrehmaglutin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-o-cis-p-coumaroyl-7-deoxyrehmaglutin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
梓叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ovate Catalpa Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
梓叶ZI YEOvate Catalpa Leaf
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012658
Tcmid
41524153
Pub Chem
11771909
Tcmbank
TCMBANKIN022466
Etcm Ingredient
6-O-cis-p-Coumaroyl-7-deoxyrehmaglutin A
Itcmdb Generated
ITX-INGREDIENT-61A50FDD9AC8ITX-INGREDIENT-970E4C148095
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H20O6/c19-12-4-1-11(2-5-12)3-6-15(20)24-14-9-18(21)10-23-17-16(18)13(14)7-8-22-17/h1-6,13-14,16-17,19,21H,7-10H2/b6-3+/t13-,14+,16+,17+,18+/m0/s1
Mol Wt
332.352
Mol Log P
1.461
In Ch Ikey
KPWKPPYUQLHPDZ-MRGVQOGQSA-N
Tcm Name
梓叶
Tcm Name2
ZI YE
Mol2 Path
/TCM_database/2007_3d_all/04152.mol2
Reference
4290
Num Hdonors
2
Tcm Name En
Ovate Catalpa Leaf
Drug Likeness
0.644
Num Hacceptors
6
Isomeric Smiles
C1CO[C@H]2[C@H]3[C@@H]1[C@@H](C[C@]3(CO2)O)OC(=O)/C=C/C4=CC=C(C=C4)O
Canonical Smiles
C1COC2C3C1C(CC3(CO2)O)OC(=O)C=CC4=CC=C(C=C4)O
Molecular Weight
332.130
Molecular Formula
C18H20O6
Molecular Formula
C18H20O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.826
Quantitative Estimate Of Drug Likeness（Qed）
0.644