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
- 20728
- Core Entity Id
- 26221
- Source Entity Count
- 1
- Preferred Name
- Grevirobstol b
- Name En
- Pubchem Id
- 101023289
- Smiles Canonical
- C1CCCCCCCCC2=C(C(=CC(=C2)O)O)OC3=CC(=CC(=C3)O)CCCCCCC1
- Molecular Formula
- C28H40O4
- Molecular Weight
- 440.6240
- Inchikey
- MBSKKKVQUZYFGT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H40O4/c29-24-17-22-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23-19-25(30)21-27(31)28(23)32-26(18-22)20-24/h17-21,29-31H,1-16H2
- Isomeric Smiles
- C1CCCCCCCCC2=C(C(=CC(=C2)O)O)OC3=CC(=CC(=C3)O)CCCCCCC1
- Cas Id
- Ob Score
- Mol Logp
- 8.1557
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Grevirobstol B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Grevirobstol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Grevirobstol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
银桦
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Robust Silk Oak
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
银桦YIN HUARobust Silk Oak
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028414
Npass
NPC205424
Tcmid
8998
Pub Chem
101023289
Tcmbank
TCMBANKIN038304
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H40O4/c29-24-17-22-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23-19-25(30)21-27(31)28(23)32-26(18-22)20-24/h17-21,29-31H,1-16H2
Mol Wt
440.6240000000004
Mol Log P
8.155700000000008
In Ch Ikey
MBSKKKVQUZYFGT-UHFFFAOYSA-N
Tcm Name
银桦
Tcm Name2
YIN HUA
Mol2 Path
/TCM_database/2007_3d_all/08999.mol2
Reference
3905
Num Hdonors
3
Tcm Name En
Robust Silk Oak
Drug Likeness
0.386
Num Hacceptors
4
Isomeric Smiles
C1CCCCCCCCC2=C(C(=CC(=C2)O)O)OC3=CC(=CC(=C3)O)CCCCCCC1
Canonical Smiles
C1CCCCCCCCC2=C(C(=CC(=C2)O)O)OC3=CC(=CC(=C3)O)CCCCCCC1
Molecular Weight
440.6 g/mol
Molecular Formula
C28H40O4
Num Rotatable Bonds
0