Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 9Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10808
- Core Entity Id
- 15176
- Source Entity Count
- 1
- Preferred Name
- Angeloylcumambrin b
- Name En
- Pubchem Id
- 10450322
- Smiles Canonical
- CC=C(C)C(=O)OC1CC(C2CC=C(C2C3C1C(=C)C(=O)O3)C)(C)O
- Molecular Formula
- C20H26O5
- Molecular Weight
- 346.4200
- Inchikey
- CSBHDWDGNXOEPU-NUUMBAOTSA-N
- Inchi
- InChI=1S/C20H26O5/c1-6-10(2)18(21)24-14-9-20(5,23)13-8-7-11(3)15(13)17-16(14)12(4)19(22)25-17/h6-7,13-17,23H,4,8-9H2,1-3,5H3/b10-6-/t13-,14+,15+,16-,17-,20-/m1/s1
- Isomeric Smiles
- Cas Id
- 82462-99-5
- Ob Score
- 16.9670
- Mol Logp
- 2.6000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 72.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Angeloylcumambrin B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Angeloylcumambrin B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Angeloylcumambrin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Angeloylcumambrin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
angeloylcumambrin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
angeloylcumambrin B
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
82462-99-5
Herb
HBIN016111
Tcmid
39727
Tcmsp
MOL008917
Sym Map
SMIT10124
Tcmbank
TCMBANKIN008645
Etcm Ingredient
angeloylcumambrin B
Itcmdb Generated
ITX-INGREDIENT-962779299B53
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
82462-99-5
Version
v1,v2
Ob Score
16.96716.967193
Suppress
0
Molecule Weight
346.41
Molecular Weight
346.140
Molecular Weight
346.42
Molecular Formula
C19H22O6
Molecular Formula
C20H26O5
Molecular Formula
C20H26O5
Fda Maximum Daily Dose (Fdamdd)
0.032
Quantitative Estimate Of Drug Likeness（Qed）
0.254