Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39942
- Core Entity Id
- 78070
- Source Entity Count
- 1
- Preferred Name
- (1r*)-minwanenone
- Name En
- Pubchem Id
- 11032739
- Smiles Canonical
- CC1C2CC3(CC(=O)O2)C(C(=O)C=C3C1(C)CO)C
- Molecular Formula
- C15H20O4
- Molecular Weight
- 264.3210
- Inchikey
- OZYHJADBOXHPLS-CPWYHZLMSA-N
- Inchi
- InChI=1S/C15H20O4/c1-8-10(17)4-12-14(3,7-16)9(2)11-5-15(8,12)6-13(18)19-11/h4,8-9,11,16H,5-7H2,1-3H3/t8-,9+,11+,14+,15+/m0/s1
- Isomeric Smiles
- C[C@@H]1[C@H]2C[C@@]3(CC(=O)O2)[C@H](C(=O)C=C3[C@]1(C)CO)C
- Cas Id
- Ob Score
- Mol Logp
- 1.4719
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1R)-Minwanenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1r*)-minwanenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1r*)-minwanenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1r*)-minwanenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R)-Minwanenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R)-Minwanenone
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL507219
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL507219
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S)-Minwanenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1s*)-minwanenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
CHEMBL526505
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R)-MinwanenoneCHEMBL507219(1S)-Minwanenone(1s*)-minwanenoneCHEMBL526505
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003174HBIN003327
Npass
NPC102652NPC17413
Tcmid
1486714868
Pub Chem
1103273910015667
Tcmbank
TCMBANKIN040430TCMBANKIN044476
Etcm Ingredient
(1R)-Minwanenone(1S)-Minwanenone
Itcmdb Generated
ITX-INGREDIENT-3735425F7C69ITX-INGREDIENT-868B08D0B9F5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O4/c1-8-10(17)4-12-14(3,7-16)9(2)11-5-15(8,12)6-13(18)19-11/h4,8-9,11,16H,5-7H2,1-3H3/t8-,9+,11+,14+,15+/m0/s1
Mol Wt
264.321
Smiles
CC1C2CC3(CC(=O)O2)C(C(=O)C=C3C1(C)CO)C
Mol Log P
1.4719
In Ch Ikey
OZYHJADBOXHPLS-CPWYHZLMSA-N
Mol2 Path
/TCM_database/2007_3d_all/14875.mol2
Reference
4697
Num Hdonors
1
Drug Likeness
0.728
Num Hacceptors
4
Isomeric Smiles
C[C@@H]1[C@H]2C[C@@]3(CC(=O)O2)[C@H](C(=O)C=C3[C@]1(C)CO)C
Canonical Smiles
CC1C2CC3(CC(=O)O2)C(C(=O)C=C3C1(C)CO)C
Herb Alias Names
(1R)-MinwanenoneCHEMBL507219
Molecular Weight
264.140
Molecular Weight
264.32 g/mol
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.164
Quantitative Estimate Of Drug Likeness（Qed）
0.728