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
- 7563
- Core Entity Id
- 11589
- Source Entity Count
- 1
- Preferred Name
- 6-dehydroxylongilactone
- Name En
- Pubchem Id
- 102377055
- Smiles Canonical
- CC1C(C(C2C3(C(CC4C2(C1C(=O)O4)C)C(=CC(=O)C3O)C)C)O)O
- Molecular Formula
- C19H26O6
- Molecular Weight
- 350.4110
- Inchikey
- JJLATIPWCGZWOR-VCUMBKPSSA-N
- Inchi
- InChI=1S/C19H26O6/c1-7-5-10(20)16(23)18(3)9(7)6-11-19(4)12(17(24)25-11)8(2)13(21)14(22)15(18)19/h5,8-9,11-16,21-23H,6H2,1-4H3/t8-,9+,11-,12-,13-,14+,15-,16-,18+,19+/m1/s1
- Isomeric Smiles
- C[C@H]1[C@H]([C@@H]([C@@H]2[C@@]3([C@@H](C[C@@H]4[C@]2([C@H]1C(=O)O4)C)C(=CC(=O)[C@H]3O)C)C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4381
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Dehydroxylongilactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-Dehydroxylongilactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-dehydroxylongilactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-dehydroxylongilactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
长叶宽木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG YE KUAN MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长叶宽木CHANG YE KUAN MU
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012304
Npass
NPC275537
Tcmid
4985
Pub Chem
102377055
Tcmbank
TCMBANKIN041392
Etcm Ingredient
6-Dehydroxylongilactone
Itcmdb Generated
ITX-INGREDIENT-A55764BB7E9B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H26O6/c1-7-5-10(20)16(23)18(3)9(7)6-11-19(4)12(17(24)25-11)8(2)13(21)14(22)15(18)19/h5,8-9,11-16,21-23H,6H2,1-4H3/t8-,9+,11-,12-,13-,14+,15-,16-,18+,19+/m1/s1
Mol Wt
350.4110000000001
Mol Log P
0.4380999999999998
In Ch Ikey
JJLATIPWCGZWOR-VCUMBKPSSA-N
Tcm Name
长叶宽木
Tcm Name2
CHANG YE KUAN MU
Mol2 Path
/TCM_database/2007_3d_all/04986.mol2
Reference
4556, 5215
Num Hdonors
3
Drug Likeness
0.548
Num Hacceptors
6
Isomeric Smiles
C[C@H]1[C@H]([C@@H]([C@@H]2[C@@]3([C@@H](C[C@@H]4[C@]2([C@H]1C(=O)O4)C)C(=CC(=O)[C@H]3O)C)C)O)O
Canonical Smiles
CC1C(C(C2C3(C(CC4C2(C1C(=O)O4)C)C(=CC(=O)C3O)C)C)O)O
Molecular Weight
350.170
Molecular Formula
C19H26O6
Molecular Formula
C19H26O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.249
Quantitative Estimate Of Drug Likeness（Qed）
0.493