Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, literature, qherb, pherb, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
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At a Glance
Curated fields selected for quick interpretation of this Ingredient record.
- Molecular Formula
- C40H70O4
- Molecular Weight
- 614.9960
- PubChem CID
- 11192829
- InChIKey
- VIXBRBZKDOADEE-NWBJSICCSA-N
Chemical Identity
Canonical identifiers and formula-level properties.
- Molecular Formula
- C40H70O4
- Molecular Weight
- 614.9960
- PubChem CID
- 11192829
- InChIKey
- VIXBRBZKDOADEE-NWBJSICCSA-N
- Inchi
- InChI=1S/C40H70O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35-44-40(43)34-32-37-31-33-38(41)39(42)36-37/h31-34,36,41-42H,2-30,35H2,1H3/b34-32+
Structure Strings
Validated structure encodings used for molecule rendering and search.
- Canonical SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1
- Isomeric SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1
Computed Molecular Properties
RDKit-derived or curated molecular descriptors suitable for comparison.
- MolLogP
- 12.9870
- Polar Surface Area
- 66.7600
- H-bond Donors
- 2
- H-bond Acceptors
- 4
- Rotatable Bonds
- 32
- Drug-likeness
- 0.0370
Cross References
Trusted external identifiers associated with this record.
Herb
HBIN029051
Tcmid
9364
Pub Chem
11192829
Tcmbank
TCMBANKIN043255