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
- 29831
- Core Entity Id
- 36340
- Source Entity Count
- 1
- Preferred Name
- Physanol b
- Name En
- Pubchem Id
- 102067219
- Smiles Canonical
- CCC(CCC(C)C1CCC2C1(CC(C3C2=CC(=O)C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)O)C)C(C)C
- Molecular Formula
- C36H52O4
- Molecular Weight
- 548.8080
- Inchikey
- HFJICIWUJLLENY-RQLGERNOSA-N
- Inchi
- InChI=1S/C36H52O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22-24,26,28-30,32-33,38H,7,13-19,21H2,1-6H3/t23-,24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1
- Isomeric Smiles
- CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3C2=CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)O)C)C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.0393
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Physanol B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Physanol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Physanol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
挂金灯
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUA JIN DENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Franchet Groundcherry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
挂金灯GUA JIN DENGFranchet Groundcherry
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039755
Npass
NPC144997
Tcmid
17232
Tcm Id
1778
Pub Chem
102067219
Tcmbank
TCMBANKIN043123
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C36H52O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22-24,26,28-30,32-33,38H,7,13-19,21H2,1-6H3/t23-,24-,26+,28-,29+,30-,32-,33-,35+,36-/m1/s1
Mol Wt
548.8080000000003
Mol Log P
8.03930000000001
In Ch Ikey
HFJICIWUJLLENY-RQLGERNOSA-N
Tcm Name
挂金灯
Tcm Name2
GUA JIN DENG
Mol2 Path
/TCM_database/2007_3d_all/17246.mol2
Reference
3205
Num Hdonors
1
Tcm Name En
Franchet Groundcherry
Drug Likeness
0.334
Num Hacceptors
4
Isomeric Smiles
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3C2=CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)O)C)C(C)C
Canonical Smiles
CCC(CCC(C)C1CCC2C1(CC(C3C2=CC(=O)C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)O)C)C(C)C
Molecular Weight
548.8 g/mol
Molecular Formula
C36H52O4
Num Rotatable Bonds
8