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
- 33427
- Core Entity Id
- 40345
- Source Entity Count
- 1
- Preferred Name
- Sipaucin b
- Name En
- Pubchem Id
- 101251408
- Smiles Canonical
- CC(=O)OCC(=C)C1CC(=CC(=O)C1(C)C=C)C(C)(COC(=O)C)O
- Molecular Formula
- C19H26O6
- Molecular Weight
- 350.4110
- Inchikey
- FRTWIOLVDNAYBY-SYUDBMKNSA-N
- Inchi
- InChI=1S/C19H26O6/c1-7-18(5)16(12(2)10-24-13(3)20)8-15(9-17(18)22)19(6,23)11-25-14(4)21/h7,9,16,23H,1-2,8,10-11H2,3-6H3/t16-,18-,19?/m1/s1
- Isomeric Smiles
- CC(=O)OCC(=C)[C@H]1CC(=CC(=O)[C@]1(C)C=C)C(C)(COC(=O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1275
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.5590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sipaucin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sipaucin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sipaucin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
少华西帕木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAO HUA XI PA MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Limoncillo (in Costa Rica)
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
少华西帕木SHAO HUA XI PA MULimoncillo (in Costa Rica)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044121
Npass
NPC231628
Tcmid
19946
Pub Chem
101251408
Tcmbank
TCMBANKIN038482
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H26O6/c1-7-18(5)16(12(2)10-24-13(3)20)8-15(9-17(18)22)19(6,23)11-25-14(4)21/h7,9,16,23H,1-2,8,10-11H2,3-6H3/t16-,18-,19?/m1/s1
Mol Wt
350.4110000000001
Mol Log P
2.127500000000001
In Ch Ikey
FRTWIOLVDNAYBY-SYUDBMKNSA-N
Tcm Name
少华西帕木
Tcm Name2
SHAO HUA XI PA MU
Mol2 Path
/TCM_database/2007_3d_all/19962.mol2
Reference
3376
Num Hdonors
1
Tcm Name En
Limoncillo (in Costa Rica)
Drug Likeness
0.559
Num Hacceptors
6
Isomeric Smiles
CC(=O)OCC(=C)[C@H]1CC(=CC(=O)[C@]1(C)C=C)C(C)(COC(=O)C)O
Canonical Smiles
CC(=O)OCC(=C)C1CC(=CC(=O)C1(C)C=C)C(C)(COC(=O)C)O
Molecular Weight
350.4 g/mol
Molecular Formula
C19H26O6
Num Rotatable Bonds
7