Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 909
- Core Entity Id
- 4204
- Source Entity Count
- 1
- Preferred Name
- (24r)-cycloart-25-en-3beta,24-diol
- Name En
- Pubchem Id
- 163095026
- Smiles Canonical
- C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@]3(C)CC[C@]12C
- Molecular Formula
- C31H54O2
- Molecular Weight
- 459.0000
- Inchikey
- QOHJLNZKKCMECD-JWDDPMLNSA-N
- Inchi
- InChI=1S/C31H54O2/c1-20(2)23(32)11-10-21(3)22-14-16-30(8)25-13-12-24-27(4,5)26(33)15-17-29(24,7)31(25,9)19-18-28(22,30)6/h21-26,32-33H,1,10-19H2,2-9H3/t21-,22-,23-,24+,25+,26+,28-,29+,30+,31-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 8.8830
- Mol Logp
- 7.0000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 40.0000
- Molecular Volume
- 375.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(24R)-Cycloart-25-En-3Beta,24-Diol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(24R)-Cycloart-25-En-3Beta,24-Diol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(24R)-cycloart-25-en-3beta,24-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(24r)-cycloart-25-en-3beta,24-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(24r)-cycloart-25-en-3beta,24-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(24r)-cycloart-25-en-3beta,24-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
菊花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Chrysanthemum morifolium Ramat
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.发散风热药(12-12)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-heat dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
菊花Chrysanthemum morifolium Ramat1.解表药(28-28)exterior-releasing medicinal2.发散风热药(12-12)wind-heat dispersing
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004505
Tcmsp
MOL011800
Sym Map
SMIT12652
Tcmbank
TCMBANKIN037063
Etcm Ingredient
(24r)-cycloart-25-en-3beta,24-diol
Itcmdb Generated
ITX-INGREDIENT-E39C63AC950F
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@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])(O[H])C(C([H])([H])[H])=C([H])[H])C([H
])([H])[H])C([H])([H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3([H])C([H])([H])C4([H])[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
37 Flag
37
C Count
31
N Count
0
O Count
2
P Count
0
S Count
0
Version
v1,v2
Ob Score
8.8838.8833758.883375089
Suppress
0
Tcm Name
菊花
Mol2 Path
/TCM_database/1.解表药(28-28)/2.发散风热药(12-12)/菊花/structure/(24R)-cycloart-25-en-3beta,24-diol.mol2
Tcm Name En
Chrysanthemum morifolium Ramat
Level1 Name
1.解表药(28-28)
Level2 Name
2.发散风热药(12-12)
Num H Donors
2
Level1 Name En
exterior-releasing medicinal
Level2 Name En
wind-heat dispersing
Molecule Weight
458.85
Num H Acceptors
2
Molecular Weight
458.410
Molecular Volume
375
Molecular Weight
459
Molecular Formula
C31H54O2
Molecular Formula
C31H54O2
Num Rotatable Bonds
5
Molecular Polar Surface Area
40
Fda Maximum Daily Dose (Fdamdd)
0.944
Quantitative Estimate Of Drug Likeness（Qed）
0.413