Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 213
- Core Entity Id
- 2125
- Source Entity Count
- 1
- Preferred Name
- (22e,24r)-ergosta-7,22-dien-3-one
- Name En
- Pubchem Id
- 163081915
- Smiles Canonical
- CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
- Molecular Formula
- C28H44O
- Molecular Weight
- 397.0000
- Inchikey
- AHWOEMBXZXGDBQ-ZIVAMUJISA-N
- Inchi
- InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21+,24+,25+,26-,27-,28+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 44.8766
- Mol Logp
- 7.0000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 17.0000
- Molecular Volume
- 317.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(22E,24R)-Ergosta-7,22-Dien-3-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(22E,24R)-Ergosta-7,22-Dien-3-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(22E,24R)-ergosta-7,22-dien-3-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(22e,24r)-ergosta-7,22-dien-3-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(22e,24r)-ergosta-7,22-dien-3-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(22e,24r)-ergosta-7,22-dien-3-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
猪苓
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Polyporus umbellatus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4.利水渗湿药(27-27)
Role
level1_name
Source
TCMBank
Preferred
No
Name
dampness-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.利水消肿药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
water-draining and swelling-dispersing medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
猪苓Polyporus umbellatus4.利水渗湿药(27-27)dampness-resolving medicinal1.利水消肿药(11-11)water-draining and swelling-dispersing medicinal
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003718
Tcmsp
MOL000797
Sym Map
SMIT03318
Tcmbank
TCMBANKIN039516
Etcm Ingredient
(22e,24r)-ergosta-7,22-dien-3-one
Itcmdb Generated
ITX-INGREDIENT-322CEA83D65A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
7
Smiles
C1([H])([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@]([H])(C([H])([H])[H])\C([H])=C([H])\[C@]([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H
])([H])[H])C([H])([H])C2([H])[H])[C@]23[H])C3=C([H])C4([H])[H])[C@@]4([H])C([H])([H])C1=O
37 Flag
37
C Count
28
N Count
0
O Count
1
P Count
0
S Count
0
Version
v1,v2
Ob Score
44.8766055944.87660644.877
Suppress
0
Tcm Name
猪苓
Mol2 Path
/TCM_database/4.利水渗湿药(27-27)/1.利水消肿药(11-11)/猪苓/structure/(22E,24R)-ergosta-7,22-dien-3-one.mol2
Tcm Name En
Polyporus umbellatus
Level1 Name
4.利水渗湿药(27-27)
Level2 Name
1.利水消肿药(11-11)
Num H Donors
0
Level1 Name En
dampness-resolving medicinal
Level2 Name En
water-draining and swelling-dispersing medicinal
Molecule Weight
396.72
Num H Acceptors
1
Molecular Weight
396.340
Molecular Volume
317
Molecular Weight
397
Molecular Formula
C28H44O
Molecular Formula
C28H44O
Num Rotatable Bonds
4
Molecular Polar Surface Area
17
Fda Maximum Daily Dose (Fdamdd)
0.882
Quantitative Estimate Of Drug Likeness（Qed）
0.447