Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52816
- Core Entity Id
- 95827
- Source Entity Count
- 1
- Preferred Name
- 6β,8β-dimethoxy-10β-hydroxyeremophil-7(11)-en-12,8α-olide
- Name En
- Pubchem Id
- 78178037
- Smiles Canonical
- COC1C2=C(C)C(=O)OC2(OC)CC2(O)CCCC(C)C12C
- Molecular Formula
- C17H26O5
- Molecular Weight
- 310.1800
- Inchikey
- YXGXDLSSHQUMKC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H26O5/c1-10-7-6-8-16(19)9-17(21-5)12(11(2)14(18)22-17)13(20-4)15(10,16)3/h10,13,19H,6-9H2,1-5H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 65.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6β,8β-Dimethoxy-10β-hydroxyeremophil-7(11)-en-12,8α-olide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6β,8β-dimethoxy-10β-hydroxyeremophil-7(11)-en-12,8α-olide
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN048342
Etcm Ingredient
6β,8β-Dimethoxy-10β-hydroxyeremophil-7(11)-en-12,8α-olide
Itcmdb Generated
ITX-INGREDIENT-BE18370723BE
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1CCCC2(C1(C(C3=C(C(=O)OC3(C2)OC)C)OC)C)O
Mol2 Path
/TCM_database/2007_3d_all/06238.mol2
Reference
5382
Molecular Weight
310.180
Molecular Formula
C17H26O5
Molecular Formula
C17H26O5
Fda Maximum Daily Dose (Fdamdd)
0.223
Quantitative Estimate Of Drug Likeness（Qed）
0.793