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
- 43521
- Core Entity Id
- 86532
- Source Entity Count
- 1
- Preferred Name
- aromadendrane-4β,10β-diol
- Name En
- Pubchem Id
- 3411815
- Smiles Canonical
- CC1(O)CCC2C(C3C1CCC3(C)O)C2(C)C
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.1900
- Inchikey
- DWNPMJOWAWGIMM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H26O2/c1-13(2)9-5-7-14(3,16)10-6-8-15(4,17)12(10)11(9)13/h9-12,16-17H,5-8H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aromadendrane-4β,10β-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
aromadendrane-4β,10β-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lobophytum sp.
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Lobophytum sp.
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN011914TCMBANKIN041648
Etcm Ingredient
Aromadendrane-4β,10β-diol
Itcmdb Generated
ITX-INGREDIENT-ED142C2592EBITX-INGREDIENT-F5D34ABAC810
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1(C2C1C3C(CCC3(C)O)C(CC2)(C)O)C
Tcm Name2
Lobophytum sp.
Mol2 Path
/TCM_database/2007_3d_all/01760.mol2/TCM_database/2007_3d_all/01762.mol2
Reference
43384565
Molecular Weight
238.190
Molecular Formula
C15H26O2
Molecular Formula
C15H26O2
Fda Maximum Daily Dose (Fdamdd)
0.182
Quantitative Estimate Of Drug Likeness（Qed）
0.681