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
- 28353
- Core Entity Id
- 34700
- Source Entity Count
- 1
- Preferred Name
- Olean-13(18)-en-3-acetate
- Name En
- Pubchem Id
- 71366961
- Smiles Canonical
- CC(=O)OC1CCC2(C3CCC4=C5CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)(C)C)C
- Molecular Formula
- C32H52O2
- Molecular Weight
- 468.7660
- Inchikey
- HPCVECTWKNBXCO-WEIMNQPASA-N
- Inchi
- InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h24-26H,10-20H2,1-9H3/t24?,25-,26-,29+,30+,31+,32+/m0/s1
- Isomeric Smiles
- CC(=O)O[C@H]1CC[C@]2([C@@H]3CCC4=C5CC(CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.8838
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.2840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Olean-13(18)-en-3-acetate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Olean-13(18)-en-3-acetate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Olean-13(18)-en-3-acetate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
大花旋覆花草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DA HUA XUAN FU HUA CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
British Inula Herb
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
大花旋覆花草DA HUA XUAN FU HUA CAOBritish Inula Herb
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037917
Tcmid
16025
Pub Chem
71366961
Tcmbank
TCMBANKIN036963
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h24-26H,10-20H2,1-9H3/t24?,25-,26-,29+,30+,31+,32+/m0/s1
Mol Wt
468.7660000000003
Mol Log P
8.883800000000004
In Ch Ikey
HPCVECTWKNBXCO-WEIMNQPASA-N
Tcm Name
大花旋覆花草
Tcm Name2
DA HUA XUAN FU HUA CAO
Mol2 Path
/TCM_database/2007_3d_all/16035.mol2
Reference
1388
Num Hdonors
0
Tcm Name En
British Inula Herb
Drug Likeness
0.284
Num Hacceptors
2
Isomeric Smiles
CC(=O)O[C@H]1CC[C@]2([C@@H]3CCC4=C5CC(CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)C)C
Canonical Smiles
CC(=O)OC1CCC2(C3CCC4=C5CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)(C)C)C
Molecular Formula
C32H52O2
Num Rotatable Bonds
1