Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 9Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21336
- Core Entity Id
- 26903
- Source Entity Count
- 1
- Preferred Name
- (?)-hernolactone
- Name En
- Pubchem Id
- 101687154
- Smiles Canonical
- CC1=CC2C3C(=C(C(=O)O2)C)CCC3(CC1)C
- Molecular Formula
- C15H20O2
- Molecular Weight
- 232.3230
- Inchikey
- DGKFETRFKMWAAU-YOYPFHDYSA-N
- Inchi
- InChI=1S/C15H20O2/c1-9-4-6-15(3)7-5-11-10(2)14(16)17-12(8-9)13(11)15/h8,12-13H,4-7H2,1-3H3/t12-,13?,15-/m0/s1
- Isomeric Smiles
- CC1=C[C@H]2C3C(=C(C(=O)O2)C)CC[C@@]3(CC1)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3847
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Hernolactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-hernolactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(?)-hernolactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(−)-Hernolactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
莲叶桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIAN YE TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lotusleaftung
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Hernolactone(−)-Hernolactone莲叶桐LIAN YE TONGLotusleaftung
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029184
Tcmid
9452
Pub Chem
101687154
Tcmbank
TCMBANKIN016783
Etcm Ingredient
(-)-Hernolactone
Itcmdb Generated
ITX-INGREDIENT-35983A45CAC4ITX-INGREDIENT-EFE08D9A628D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O2/c1-9-4-6-15(3)7-5-11-10(2)14(16)17-12(8-9)13(11)15/h8,12-13H,4-7H2,1-3H3/t12-,13?,15-/m0/s1
Mol Wt
232.3229999999999
Mol Log P
3.384700000000002
In Ch Ikey
DGKFETRFKMWAAU-YOYPFHDYSA-N
Tcm Name
莲叶桐
Tcm Name2
LIAN YE TONG
Mol2 Path
/TCM_database/2007_3d_all/09453.mol2
Reference
5030
Num Hdonors
0
Tcm Name En
Lotusleaftung
Drug Likeness
0.472
Num Hacceptors
2
Isomeric Smiles
CC1=C[C@H]2C3C(=C(C(=O)O2)C)CC[C@@]3(CC1)C
Canonical Smiles
CC1=CC2C3C(=C(C(=O)O2)C)CCC3(CC1)C
Molecular Weight
432.180
Molecular Formula
C23H28O8
Molecular Formula
C15H20O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.156
Quantitative Estimate Of Drug Likeness（Qed）
0.605