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
- 30882
- Core Entity Id
- 37509
- Source Entity Count
- 1
- Preferred Name
- Pseudomajucin
- Name En
- Pubchem Id
- 365774
- Smiles Canonical
- CC1C(CC23C1(CC(=O)O2)CC4(C(C3(CO4)C)C)O)O
- Molecular Formula
- C15H22O5
- Molecular Weight
- 282.3360
- Inchikey
- UOJOLCLAGZTOOG-IFNURNEMSA-N
- Inchi
- InChI=1S/C15H22O5/c1-8-10(16)4-15-12(3)7-19-14(18,9(12)2)6-13(8,15)5-11(17)20-15/h8-10,16,18H,4-7H2,1-3H3/t8-,9+,10-,12?,13?,14?,15?/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@@H](CC23C1(CC(=O)O2)CC4([C@H](C3(CO4)C)C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.8241
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pseudomajucin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Pseudomajucin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pseudomajucin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pseudomajucin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pseudomajucin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pseudomajucin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
闽皖八角
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MIN WAN BA JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Minwan Anisetree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
NSC-633845
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC633845
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
闽皖八角MIN WAN BA JIAOMinwan AnisetreeNSC-633845NSC633845
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041058
Npass
NPC474065
Tcmid
18037
Sym Map
SMIT26321
Pub Chem
36577444566789
Tcmbank
TCMBANKIN040771
Etcm Ingredient
Pseudomajucin
Itcmdb Generated
ITX-INGREDIENT-046859C95585ITX-INGREDIENT-433925BC2C24
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O5/c1-8-10(16)4-15-12(3)7-19-14(18,9(12)2)6-13(8,15)5-11(17)20-15/h8-10,16,18H,4-7H2,1-3H3/t8-,9+,10-,12?,13?,14?,15?/m1/s1
Mol Wt
282.336
Mol Log P
0.8240999999999998
Version
v2
In Ch Ikey
UOJOLCLAGZTOOG-IFNURNEMSA-N
Suppress
0
Tcm Name
闽皖八角
Tcm Name2
MIN WAN BA JIAO
Mol2 Path
/TCM_database/2007_3d_all/18051.mol2
Reference
1521, 3046, 4697
Num Hdonors
2
Tcm Name En
Minwan Anisetree
Drug Likeness
0.643
Num Hacceptors
5
Isomeric Smiles
C[C@@H]1[C@@H](CC23C1(CC(=O)O2)CC4([C@H](C3(CO4)C)C)O)O
Canonical Smiles
CC1C(CC23C1(CC(=O)O2)CC4(C(C3(CO4)C)C)O)O
Herb Alias Names
NSC633845NSC-633845
Molecular Weight
282.150
Molecular Weight
282.33 g/mol
Molecular Formula
C15H22O5
Molecular Formula
C15H22O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.675
Quantitative Estimate Of Drug Likeness（Qed）
0.643