Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27787
- Core Entity Id
- 34069
- Source Entity Count
- 1
- Preferred Name
- Nobiletin-3-o-beta-d-glucoside
- Name En
- Pubchem Id
- 14375132
- Smiles Canonical
- COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O)OC
- Molecular Formula
- C27H32O14
- Molecular Weight
- 580.5000
- Inchikey
- MSTIUVOQDAVXIA-SHNDPLGISA-N
- Inchi
- InChI=1S/C27H32O14/c1-33-12-8-7-11(9-13(12)34-2)20-23(41-27-19(32)18(31)16(29)14(10-28)39-27)17(30)15-21(35-3)24(36-4)26(38-6)25(37-5)22(15)40-20/h7-9,14,16,18-19,27-29,31-32H,10H2,1-6H3/t14-,16-,18+,19-,27+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.1000
- Num H Donors
- 4
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 181.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nobiletin-3-o-beta-d-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nobiletin-3-o-beta-d-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037173
Tcmid
15627
Attributes
Merged source attributes and domain-specific metadata.
Molecular Formula
C27H32O14