Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 56859
- Core Entity Id
- 99870
- Source Entity Count
- 1
- Preferred Name
- Cysterone
- Name En
- Pubchem Id
- 119444
- Smiles Canonical
- C[C@@H]1C(=O)O[C@H](C)[C@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
- Molecular Formula
- C29H44O8
- Molecular Weight
- 520.3000
- Inchikey
- NEFYSBQJYCICOG-YSEUJXISSA-N
- Inchi
- InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 145.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cysterone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cysterone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
匍匐筋骨草;白毛夏枯草;延龄草;麻牛膝;鱼耳七;川牛膝;黄筋骨草;白毛夏枯草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
PU FU JIN GU CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Creeping BugIe
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
匍匐筋骨草;白毛夏枯草;延龄草;麻牛膝;鱼耳七;川牛膝;黄筋骨草;白毛夏枯草PU FU JIN GU CAOCreeping BugIe
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN055561
Etcm Ingredient
Cysterone
Itcmdb Generated
ITX-INGREDIENT-082180E20529ITX-INGREDIENT-29989C3043B1
Attributes
Merged source attributes and domain-specific metadata.
Smiles
[C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@](O[H])(C([H])([H])[H])[C@@](O[H])([H])C([H])([H])[C@]2([H])[C@](C([H])([H])[H])([H
])OC(=O)[C@@]2([H])C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]34O[H])C4=C([H])C5=O)[C@@]5([H])C([H])([H])[C@@]1([H])O[H]
Tcm Name
匍匐筋骨草;白毛夏枯草;延龄草;麻牛膝;鱼耳七;川牛膝;黄筋骨草;白毛夏枯草
Tcm Name2
PU FU JIN GU CAO
Mol2 Path
/TCM_database/2003_3d_all/1801.mol2
Reference
6, 658, 660, 693
Tcm Name En
Creeping BugIe
Molecular Weight
520.300
Molecular Formula
C29H44O8
Molecular Formula
C29H44O8
Fda Maximum Daily Dose (Fdamdd)
0.953
Quantitative Estimate Of Drug Likeness（Qed）
0.280