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
- 32881
- Core Entity Id
- 39742
- Source Entity Count
- 1
- Preferred Name
- Sculponeata b
- Name En
- Pubchem Id
- 5321197
- Smiles Canonical
- C1([H])([H])[C@]([H])(OC(=O)[C@@]2(C([H])([H])[C@]([H])(C(=C([H])[H])[C@@]2([H])O[H])C([H])([H])[C@]3([H])O[H])[C@@]34[H])[C@]45[C@@]([C@](OC5([H])[H])([H])OC6([H])[H])([H])[C@@]6(C([H])([H])[H])C1([H ])[H]
- Molecular Formula
- C20H26O6
- Molecular Weight
- 362.4220
- Inchikey
- PADYQJTWJTWLFC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H26O6/c1-9-10-5-11(21)13-19(6-10,15(9)22)17(23)26-12-3-4-18(2)7-24-16-14(18)20(12,13)8-25-16/h10-16,21-22H,1,3-8H2,2H3
- Isomeric Smiles
- CC12CCC3C4(C1C(OC2)OC4)C5C(CC6CC5(C(C6=C)O)C(=O)O3)O
- Cas Id
- Ob Score
- Mol Logp
- 1.0052
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sculponeata B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sculponeata b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sculponeata b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
黄花香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG HUA XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yellowflower Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄花香茶菜HUANG HUA XIANG CHA CAIYellowflower Rabdosia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043474
Npass
NPC46668
Tcmid
25319
Tcm Id
115123891
Pub Chem
5321197
Tcmbank
TCMBANKIN018949TCMBANKIN060112
Itcmdb Generated
ITX-INGREDIENT-592CA6626932
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H26O6/c1-9-10-5-11(21)13-19(6-10,15(9)22)17(23)26-12-3-4-18(2)7-24-16-14(18)20(12,13)8-25-16/h10-16,21-22H,1,3-8H2,2H3
Mol Wt
362.4220000000001
Smiles
C1([H])([H])[C@]([H])(OC(=O)[C@@]2(C([H])([H])[C@]([H])(C(=C([H])[H])[C@@]2([H])O[H])C([H])([H])[C@]3([H])O[H])[C@@]34[H])[C@]45[C@@]([C@](OC5([H])[H])([H])OC6([H])[H])([H])[C@@]6(C([H])([H])[H])C1([H
])[H]
Mol Log P
1.0052
In Ch Ikey
PADYQJTWJTWLFC-UHFFFAOYSA-N
Tcm Name
黄花香茶菜
Tcm Name2
HUANG HUA XIANG CHA CAI
Mol2 Path
/TCM_database/2003_3d_all/7605.mol2
Reference
661
Num Hdonors
2
Tcm Name En
Yellowflower Rabdosia
Drug Likeness
0.494
Num Hacceptors
6
Isomeric Smiles
CC12CCC3C4(C1C(OC2)OC4)C5C(CC6CC5(C(C6=C)O)C(=O)O3)O
Canonical Smiles
CC12CCC3C4(C1C(OC2)OC4)C5C(CC6CC5(C(C6=C)O)C(=O)O3)O
Molecular Weight
0
Molecular Formula
C20H26O6
Molecular Formula
C20H26O6
Num Rotatable Bonds
0