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
- 73093
- Core Entity Id
- 135742
- Source Entity Count
- 1
- Preferred Name
- KUROMANIN CHLORIDE
- Name En
- Pubchem Id
- 197081
- Smiles Canonical
- C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O.[Cl-]
- Molecular Formula
- C21H21ClO11
- Molecular Weight
- 484.0800
- Inchikey
- YTMNONATNXDQJF-UBNZBFALSA-N
- Inchi
- InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.6140
- Num H Donors
- 8
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 181.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
KUROMANIN CHLORIDE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
KUROMANIN CHLORIDE
Itcmdb Generated
ITX-INGREDIENT-F913E9B465EE
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
484.080
Molecular Formula
C21H21ClO11
Fda Maximum Daily Dose (Fdamdd)
0.015
Quantitative Estimate Of Drug Likeness（Qed）
0.203