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
- 63422
- Core Entity Id
- 110440
- Source Entity Count
- 1
- Preferred Name
- Daedaleanic Acid A
- Name En
- Pubchem Id
- 11179164
- Smiles Canonical
- CC1=C(C2=C(C=C1)C3(CC(C(C3(CC2)C)C(CCC(=C)C(C)C)C(=O)O)O)C)CCC(=O)C(C)C
- Molecular Formula
- C31H46O4
- Molecular Weight
- 482.3400
- Inchikey
- MFOKWUZMHJXWFI-ZKBPDDLLSA-N
- Inchi
- InChI=1S/C31H46O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,18-19,24,27-28,33H,5,9,11-12,14-17H2,1-4,6-8H3,(H,34,35)/t24-,27-,28+,30-,31+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.2000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 74.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Daedaleanic Acid A
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Daedaleanic Acid A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
daedaleanic acid A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23280
Pub Chem
11179164
Etcm Ingredient
daedaleanic acid A
Itcmdb Generated
ITX-INGREDIENT-131A555142FBITX-INGREDIENT-C883B69B2D97
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecular Weight
482.340
Molecule Formula
C31H46O4
Molecular Formula
C31H46O4
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.377