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
- 45014
- Core Entity Id
- 88025
- Source Entity Count
- 1
- Preferred Name
- 1Β-Hydroxyleudesma- 4, 11-Dien-3-One
- Name En
- Pubchem Id
- 17982873
- Smiles Canonical
- C=C1C(O)C2(O)OCC34C1CC(=O)OC3C(OC(=O)C=C(C)C)C1C(C)=CC(O)C(O)C1(C)C24
- Molecular Formula
- C25H32O9
- Molecular Weight
- 476.5000
- Inchikey
- UDYDQIYSNNAQSU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H32O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,13-14,17-22,26,29-31H,4,8-9H2,1-3,5H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.4000
- Num H Donors
- 4
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 143.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1Β-Hydroxyleudesma- 4, 11-Dien-3-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1β-hydroxyleudesma- 4, 11-dien-3-one
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20434
Tcmbank
TCMBANKIN017020
Itcmdb Generated
ITX-INGREDIENT-E4AB7DFC672F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1=CC(C(C2(C1C(C3C45C2C(C(C(=C)C4CC(=O)O3)O)(OC5)O)OC(=O)C=C(C)C)C)O)O
Version
v2
Suppress
0
Molecular Formula
C25H32O9