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
- 40496
- Core Entity Id
- 83507
- Source Entity Count
- 1
- Preferred Name
- β-Onoceradiene
- Name En
- Pubchem Id
- 14287426
- Smiles Canonical
- CC1=C(CCC2=C(C)CCC3C(C)(C)CCCC23C)C2(C)CCCC(C)(C)C2CC1
- Molecular Formula
- C30H50
- Molecular Weight
- 410.3900
- Inchikey
- ZZGUCDDZQIFCSE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H50/c1-21-11-15-25-27(3,4)17-9-19-29(25,7)23(21)13-14-24-22(2)12-16-26-28(5,6)18-10-20-30(24,26)8/h25-26H,9-20H2,1-8H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 9.4000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
α-onoceradiene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
β-Onoceradiene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
螺厣草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LUO YAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Littleleaf Lemmaphyyllum Herb
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
α-onoceradiene螺厣草LUO YAN CAOLittleleaf Lemmaphyyllum Herb
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN001253TCMBANKIN059741
Etcm Ingredient
β-Onoceradiene
Itcmdb Generated
ITX-INGREDIENT-3C73C21BA957ITX-INGREDIENT-4D495F334401
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1=C(C2(CCCC(C2CC1)(C)C)C)CCC3=C(CCC4C3(CCCC4(C)C)C)C
Tcm Name
螺厣草
Tcm Name2
LUO YAN CAO
Mol2 Path
/TCM_database/2007_3d_all/16111.mol2
Reference
2838
Tcm Name En
Littleleaf Lemmaphyyllum Herb
Molecular Weight
410.390
Molecular Formula
C30H50
Molecular Formula
C30H50
Fda Maximum Daily Dose (Fdamdd)
0.672
Quantitative Estimate Of Drug Likeness（Qed）
0.406