Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41527
- Core Entity Id
- 84538
- Source Entity Count
- 1
- Preferred Name
- Hopanol-29
- Name En
- Pubchem Id
- 162901232
- Smiles Canonical
- C[C@@H](CO)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C
- Molecular Formula
- C30H52O
- Molecular Weight
- 428.4000
- Inchikey
- JUVRJUWZCPMWHK-OQXOTSJTSA-N
- Inchi
- InChI=1S/C30H52O/c1-20(19-31)21-11-16-27(4)22(21)12-17-29(6)24(27)9-10-25-28(5)15-8-14-26(2,3)23(28)13-18-30(25,29)7/h20-25,31H,8-19H2,1-7H3/t20-,21+,22-,23+,24-,25+,27-,28-,29+,30+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 10.2000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hopanol-29
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Hopanol-29
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hopanol-29
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hopanol-29
Role
preferred
Source
TCMBank
Preferred
Yes
Name
贯众
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUAN ZHONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Male Fern Rhizome
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
贯众GUAN ZHONGMale Fern Rhizome
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24444
Tcmbank
TCMBANKIN004843
Etcm Ingredient
Hopanol-29
Itcmdb Generated
ITX-INGREDIENT-B608C58621B2ITX-INGREDIENT-CA191DF7BD6DITX-INGREDIENT-D100D034C2DB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])([C@@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]2([H])[C@@]([H])(C([H])([H])[H])C([H])([H])O[H])[C@@]2([H])C([H]
)([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H]
Version
v2
Suppress
0
Tcm Name
贯众
Tcm Name2
GUAN ZHONG
Mol2 Path
/TCM_database/2003_3d_all/3909.mol2
Reference
6
Tcm Name En
Male Fern Rhizome
Molecular Weight
428.400
Molecular Formula
C30H52O
Molecular Formula
C30H52O
Fda Maximum Daily Dose (Fdamdd)
0.036
Quantitative Estimate Of Drug Likeness（Qed）
0.471