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
- 2663
- Core Entity Id
- 6148
- Source Entity Count
- 1
- Preferred Name
- (2s)-1-o-heptacosanoyl glycerol
- Name En
- Pubchem Id
- 11167640
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
- Molecular Formula
- C30H60O4
- Molecular Weight
- 484.8060
- Inchikey
- UBPHNKCXZWAOFK-LJAQVGFWSA-N
- Inchi
- InChI=1S/C30H60O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(33)34-28-29(32)27-31/h29,31-32H,2-28H2,1H3/t29-/m0/s1
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O
- Cas Id
- Ob Score
- Mol Logp
- 8.6552
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 28
- Drug Likeness
- 0.0860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-1-O-Heptacosanoyl glycerol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s)-1-o-heptacosanoyl glycerol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-1-o-heptacosanoyl glycerol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
西南马尾藻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XI NANG MA WEI ZAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Parvivesiculose Gulfweed*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
西南马尾藻XI NANG MA WEI ZAOParvivesiculose Gulfweed*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006570
Tcmid
9410
Pub Chem
11167640
Tcmbank
TCMBANKIN047556
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H60O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(33)34-28-29(32)27-31/h29,31-32H,2-28H2,1H3/t29-/m0/s1
Mol Wt
484.8060000000004
Mol Log P
8.655200000000004
In Ch Ikey
UBPHNKCXZWAOFK-LJAQVGFWSA-N
Tcm Name
西南马尾藻
Tcm Name2
XI NANG MA WEI ZAO
Mol2 Path
/TCM_database/2007_3d_all/09411.mol2
Reference
2591
Num Hdonors
2
Tcm Name En
Parvivesiculose Gulfweed*
Drug Likeness
0.086
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Molecular Formula
C30H60O4
Num Rotatable Bonds
28