Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 42640
- Core Entity Id
- 85651
- Source Entity Count
- 1
- Preferred Name
- 19alpha-Hydroxyutsolic acid
- Name En
- Pubchem Id
- 12300035
- Smiles Canonical
- C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O
- Molecular Formula
- C30H48O4
- Molecular Weight
- 472.3600
- Inchikey
- ZZTYPLSBNNGEIS-WSDDLPNQSA-N
- Inchi
- InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23+,26+,27-,28-,29-,30+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.9000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 77.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
19alpha-Hydroxyutsolic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
19alpha-Hydroxyutsolic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
迷迭香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MI DIE XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Rosemary
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
迷迭香MI DIE XIANGRosemary
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN008684
Etcm Ingredient
19alpha-Hydroxyutsolic acid
Itcmdb Generated
ITX-INGREDIENT-3548D8A859C1ITX-INGREDIENT-8F19C594AB94
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])([C@@](O[H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[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])[C@@]1([H])O[H]
Tcm Name
迷迭香
Tcm Name2
MI DIE XIANG
Mol2 Path
/TCM_database/2003_3d_all/4206.mol2
Reference
6
Tcm Name En
Rosemary
Molecular Weight
472.360
Molecular Formula
C30H48O4
Molecular Formula
C30H48O4
Fda Maximum Daily Dose (Fdamdd)
0.969
Quantitative Estimate Of Drug Likeness（Qed）
0.397