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
- 20729
- Core Entity Id
- 26222
- Source Entity Count
- 1
- Preferred Name
- Grevirobstol c
- Name En
- Pubchem Id
- 101023290
- Smiles Canonical
- C1CCCC2=CC(=C(C(=C2)O)OC3=CC(=CC(=C3)O)CCCCCC=CCC=CCC1)O
- Molecular Formula
- C28H36O4
- Molecular Weight
- 436.5920
- Inchikey
- ADTYLXIJWLXACN-HZDAAVBUSA-N
- Inchi
- InChI=1S/C28H36O4/c29-24-17-22-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23-19-26(30)28(27(31)20-23)32-25(18-22)21-24/h2-5,17-21,29-31H,1,6-16H2/b4-2+,5-3-
- Isomeric Smiles
- C1CCCC2=CC(=C(C(=C2)O)OC3=CC(=CC(=C3)O)CCCCC/C=C\C/C=C/CC1)O
- Cas Id
- Ob Score
- Mol Logp
- 7.7077
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Grevirobstol C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Grevirobstol c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Grevirobstol c
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
HBIN028415
Npass
NPC2304
Tcmid
8999
Pub Chem
101023290
Tcmbank
TCMBANKIN045294
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H36O4/c29-24-17-22-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23-19-26(30)28(27(31)20-23)32-25(18-22)21-24/h2-5,17-21,29-31H,1,6-16H2/b4-2+,5-3-
Mol Wt
436.5920000000004
Mol Log P
7.707700000000009
In Ch Ikey
ADTYLXIJWLXACN-HZDAAVBUSA-N
Tcm Name
银桦
Tcm Name2
YIN HUA
Mol2 Path
/TCM_database/2007_3d_all/09000.mol2
Reference
3905
Num Hdonors
3
Tcm Name En
Robust Silk Oak
Drug Likeness
0.37
Num Hacceptors
4
Isomeric Smiles
C1CCCC2=CC(=C(C(=C2)O)OC3=CC(=CC(=C3)O)CCCCC/C=C\C/C=C/CC1)O
Canonical Smiles
C1CCCC2=CC(=C(C(=C2)O)OC3=CC(=CC(=C3)O)CCCCCC=CCC=CCC1)O
Molecular Weight
436.6 g/mol
Molecular Formula
C28H36O4
Num Rotatable Bonds
0