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
- 69275
- Core Entity Id
- 131924
- Source Entity Count
- 1
- Preferred Name
- 6-O-P-methoxycinnamoylcatalpol
- Name En
- Pubchem Id
- 91895358
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O
- Molecular Formula
- C25H30O12
- Molecular Weight
- 522.1700
- Inchikey
- SYHPDMZDZYFZLU-WEWXOPRLSA-N
- Inchi
- InChI=1S/C25H30O12/c1-32-13-5-2-12(3-6-13)4-7-16(28)35-21-14-8-9-33-23(17(14)25(11-27)22(21)37-25)36-24-20(31)19(30)18(29)15(10-26)34-24/h2-9,14-15,17-24,26-27,29-31H,10-11H2,1H3/b7-4+/t14-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.6000
- Num H Donors
- 5
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 177.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-O-P-methoxycinnamoylcatalpol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6-O-P-methoxycinnamoylcatalpol
Itcmdb Generated
ITX-INGREDIENT-B09C7E1EE2AA
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
522.170
Molecular Formula
C25H30O12
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness（Qed）
0.155