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
- 20764
- Core Entity Id
- 26261
- Source Entity Count
- 1
- Preferred Name
- (?)-guaia-1,11-dien-10alpha-ol
- Name En
- Pubchem Id
- 10867818
- Smiles Canonical
- CC1CC=C2C1CC(CCC2(C)O)C(=C)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- FUYXRMXBYTXILX-SFDCQRBFSA-N
- Inchi
- InChI=1S/C15H24O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h6,11-13,16H,1,5,7-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
- Isomeric Smiles
- C[C@H]1CC=C2[C@H]1C[C@@H](CC[C@@]2(C)O)C(=C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.6960
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Guaia-1,11-dien-10-alpha-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-guaia-1,11-dien-10alpha-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-guaia-1,11-dien-10alpha-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(-)-Guaia-1,11-dien-10-alpha-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028456
Npass
NPC14934
Tcmid
9030
Pub Chem
10867818
Etcm Ingredient
(-)-Guaia-1,11-dien-10-alpha-ol
Itcmdb Generated
ITX-INGREDIENT-4BA81DF7362B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h6,11-13,16H,1,5,7-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
Mol Wt
220.356
Mol Log P
3.696000000000002
In Ch Ikey
FUYXRMXBYTXILX-SFDCQRBFSA-N
Num Hdonors
1
Drug Likeness
0.668
Num Hacceptors
1
Isomeric Smiles
C[C@H]1CC=C2[C@H]1C[C@@H](CC[C@@]2(C)O)C(=C)C
Canonical Smiles
CC1CC=C2C1CC(CCC2(C)O)C(=C)C
Molecular Weight
220.180
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.746
Quantitative Estimate Of Drug Likeness（Qed）
0.668