Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26117
- Core Entity Id
- 32219
- Source Entity Count
- 1
- Preferred Name
- Methyl 6-o-p-cis-coumaroyl-beta-d-glucopyra-noside
- Name En
- Pubchem Id
- 15048037
- Smiles Canonical
- COC1C(C(C(C(O1)COC(=O)C=CC2=CC=C(C=C2)O)O)O)O
- Molecular Formula
- C16H20O8
- Molecular Weight
- 340.3280
- Inchikey
- FDKJBXIGTBNKPD-ORXIWHNOSA-N
- Inchi
- InChI=1S/C16H20O8/c1-22-16-15(21)14(20)13(19)11(24-16)8-23-12(18)7-4-9-2-5-10(17)6-3-9/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+/t11-,13-,14+,15-,16-/m1/s1
- Isomeric Smiles
- CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/C2=CC=C(C=C2)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.5974
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl 6-O-p-cis-coumaroyl--beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Methyl 6-o-p-cis-coumaroyl-beta-d-glucopyra-noside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methyl 6-o-p-cis-coumaroyl-beta-d-glucopyra-noside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Methyl 6-O-p-cis-coumaroyl--beta-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035048
Npass
NPC65426
Tcmid
14250
Sym Map
SMIT16570
Pub Chem
15048037
Etcm Ingredient
Methyl 6-O-p-cis-coumaroyl--beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-F200D2643BEB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H20O8/c1-22-16-15(21)14(20)13(19)11(24-16)8-23-12(18)7-4-9-2-5-10(17)6-3-9/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+/t11-,13-,14+,15-,16-/m1/s1
Mol Wt
340.328
Mol Log P
-0.5974000000000002
In Ch Ikey
FDKJBXIGTBNKPD-ORXIWHNOSA-N
Num Hdonors
4
Drug Likeness
0.414
Num Hacceptors
8
Isomeric Smiles
CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/C2=CC=C(C=C2)O)O)O)O
Canonical Smiles
COC1C(C(C(C(O1)COC(=O)C=CC2=CC=C(C=C2)O)O)O)O
Molecular Weight
340.120
Molecular Formula
C16H20O8
Molecular Formula
C16H20O8
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.414