Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21771
- Core Entity Id
- 27385
- Source Entity Count
- 1
- Preferred Name
- Hydroxycoriatin
- Name En
- Pubchem Id
- 5318177
- Smiles Canonical
- CC12C(C3C(C(C1(C4C(C25CO5)O4)O)C(=O)O3)C(C)(C)O)O
- Molecular Formula
- C15H20O7
- Molecular Weight
- 312.3180
- Inchikey
- IZLYIEOSKVYJIP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O7/c1-12(2,18)5-6-11(17)21-7(5)8(16)13(3)14(4-20-14)9-10(22-9)15(6,13)19/h5-10,16,18-19H,4H2,1-3H3
- Isomeric Smiles
- CC12C(C3C(C(C1(C4C(C25CO5)O4)O)C(=O)O3)C(C)(C)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.4230
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydroxycoriatin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hydroxycoriatin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hydroxycoriatin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
hydroxycoriatin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
19417-00-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
19417-00-6
Role
alias
Source
HERB_v2
Preferred
No
Name
Isohyenanchin
Role
alias
Source
HERB_v2
Preferred
No
Name
Isohyenanchin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
19417-00-6Isohyenanchin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029712
Npass
NPC126817
Tcmid
9934
Pub Chem
5318177
Tcmbank
TCMBANKIN020617
Etcm Ingredient
Hydroxycoriatin
Itcmdb Generated
ITX-INGREDIENT-49F901342C08
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O7/c1-12(2,18)5-6-11(17)21-7(5)8(16)13(3)14(4-20-14)9-10(22-9)15(6,13)19/h5-10,16,18-19H,4H2,1-3H3
Mol Wt
312.318
Smiles
CC12C(C3C(C(C1(C4C(C25CO5)O4)O)C(=O)O3)C(C)(C)O)O
Mol Log P
-1.422999999999999
In Ch Ikey
IZLYIEOSKVYJIP-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.402
Num Hacceptors
7
Isomeric Smiles
CC12C(C3C(C(C1(C4C(C25CO5)O4)O)C(=O)O3)C(C)(C)O)O
Canonical Smiles
CC12C(C3C(C(C1(C4C(C25CO5)O4)O)C(=O)O3)C(C)(C)O)O
Herb Alias Names
Isohyenanchin19417-00-6
Molecular Weight
312.120
Molecular Formula
C15H20O7
Molecular Formula
C15H20O7
Molecular Formula
C15H20O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.402