Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6897
- Core Entity Id
- 10846
- Source Entity Count
- 1
- Preferred Name
- 5e,10(14)-germacradien-1beta,4beta-diol
- Name En
- Pubchem Id
- 9991811
- Smiles Canonical
- CC(C)C1CCC(=C)C(CCC(C=C1)(C)O)O
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.3710
- Inchikey
- NSIOXFVMCTYIOU-DKZXYHOFSA-N
- Inchi
- InChI=1S/C15H26O2/c1-11(2)13-6-5-12(3)14(16)8-10-15(4,17)9-7-13/h7,9,11,13-14,16-17H,3,5-6,8,10H2,1-2,4H3/b9-7+/t13-,14-,15-/m1/s1
- Isomeric Smiles
- CC(C)[C@@H]\1CCC(=C)[C@@H](CC[C@](/C=C1)(C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.0569
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5E,10(14)-Germacradien-1-beta,4-beta-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5e,10(14)-germacradien-1beta,4beta-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5e,10(14)-germacradien-1beta,4beta-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
5E,10(14)-Germacradien-1-beta,4-beta-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011518
Npass
NPC238010
Tcmid
8334
Pub Chem
9991811
Etcm Ingredient
5E,10(14)-Germacradien-1-beta,4-beta-diol
Itcmdb Generated
ITX-INGREDIENT-E83B4F9524E9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26O2/c1-11(2)13-6-5-12(3)14(16)8-10-15(4,17)9-7-13/h7,9,11,13-14,16-17H,3,5-6,8,10H2,1-2,4H3/b9-7+/t13-,14-,15-/m1/s1
Mol Wt
238.371
Mol Log P
3.056900000000002
In Ch Ikey
NSIOXFVMCTYIOU-DKZXYHOFSA-N
Num Hdonors
2
Drug Likeness
0.689
Num Hacceptors
2
Isomeric Smiles
CC(C)[C@@H]\1CCC(=C)[C@@H](CC[C@](/C=C1)(C)O)O
Canonical Smiles
CC(C)C1CCC(=C)C(CCC(C=C1)(C)O)O
Molecular Weight
238.190
Molecular Formula
C15H26O2
Molecular Formula
C15H26O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.979
Quantitative Estimate Of Drug Likeness（Qed）
0.689