Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20055
- Core Entity Id
- 25470
- Source Entity Count
- 1
- Preferred Name
- Germacra-1(10),4,7(11)-trien-9alpha-ol
- Name En
- Pubchem Id
- 101417925
- Smiles Canonical
- CC1=CCC(=C(C)C)CC(C(=CCC1)C)O
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- URBDUDPFJJLTRI-SVGXSMIJSA-N
- Inchi
- InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)15(16)10-14/h7-8,15-16H,5-6,9-10H2,1-4H3/b12-8-,13-7-
- Isomeric Smiles
- C/C/1=C/CC(=C(C)C)CC(/C(=C\CC1)/C)O
- Cas Id
- Ob Score
- Mol Logp
- 4.1503
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Germacra-1(10),4,7(11)-trien-9-alpha-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Germacra-1(10),4,7(11)-trien-9alpha-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Germacra-1(10),4,7(11)-trien-9alpha-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Germacra-1(10),4,7(11)-trien-9-alpha-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027559
Tcmid
310228339
Sym Map
SMIT15528
Pub Chem
101417925
Etcm Ingredient
Germacra-1(10),4,7(11)-trien-9-alpha-ol
Itcmdb Generated
ITX-INGREDIENT-DB9448ACE707
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)15(16)10-14/h7-8,15-16H,5-6,9-10H2,1-4H3/b12-8-,13-7-
Mol Wt
220.356
Mol Log P
4.150300000000004
In Ch Ikey
URBDUDPFJJLTRI-SVGXSMIJSA-N
Num Hdonors
1
Drug Likeness
0.608
Num Hacceptors
1
Isomeric Smiles
C/C/1=C/CC(=C(C)C)CC(/C(=C\CC1)/C)O
Canonical Smiles
CC1=CCC(=C(C)C)CC(C(=CCC1)C)O
Molecular Weight
220.180
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.980
Quantitative Estimate Of Drug Likeness（Qed）
0.608