Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18264
- Core Entity Id
- 23478
- Source Entity Count
- 1
- Preferred Name
- Epilippidulcine a
- Name En
- Pubchem Id
- 11622963
- Smiles Canonical
- CC1=CC(=O)C(CC1)C(C)(CC=CC(C)(C)O)O
- Molecular Formula
- C15H24O3
- Molecular Weight
- 252.3540
- Inchikey
- KUSAHPFPYBFRTK-XYZMPQSBSA-N
- Inchi
- InChI=1S/C15H24O3/c1-11-6-7-12(13(16)10-11)15(4,18)9-5-8-14(2,3)17/h5,8,10,12,17-18H,6-7,9H2,1-4H3/b8-5+/t12-,15-/m0/s1
- Isomeric Smiles
- CC1=CC(=O)[C@H](CC1)[C@](C)(C/C=C/C(C)(C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3800
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Epilippidulcine A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Epilippidulcine A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Epilippidulcine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Epilippidulcine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
甜舌草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TIAN SHE CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sweet-tongue Lippia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(6R)-6-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-methylcyclohex-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(6R)-6-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-methylcyclohex-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lippidulcine A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lippidulcine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lippidulcine a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(6S)-6-((E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl)-3-methylcyclohex-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6S)-6-[(E,2S)-2,6-Dihydroxy-6-methylhept-4-en-2-yl]-3-methylcyclohex-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
870991-37-0
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
甜舌草TIAN SHE CAOSweet-tongue Lippia*(6R)-6-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-methylcyclohex-2-en-1-oneLippidulcine A(6S)-6-((E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl)-3-methylcyclohex-2-en-1-one(6S)-6-[(E,2S)-2,6-Dihydroxy-6-methylhept-4-en-2-yl]-3-methylcyclohex-2-en-1-one870991-37-0
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025366HBIN033365
Npass
NPC236242NPC60778
Tcmid
695012896
Pub Chem
1162296311673265
Tcmbank
TCMBANKIN037580TCMBANKIN043141
Etcm Ingredient
Epilippidulcine ALippidulcine A
Itcmdb Generated
ITX-INGREDIENT-A56D19AAB7AEITX-INGREDIENT-75639119CAD4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O3/c1-11-6-7-12(13(16)10-11)15(4,18)9-5-8-14(2,3)17/h5,8,10,12,17-18H,6-7,9H2,1-4H3/b8-5+/t12-,15-/m0/s1
Mol Wt
252.354
Smiles
CC1=CC(=O)C(CC1)C(C)(CC=CC(C)(C)O)O
Mol Log P
2.380000000000002
In Ch Ikey
KUSAHPFPYBFRTK-XYZMPQSBSA-N
Tcm Name
甜舌草
Tcm Name2
TIAN SHE CAO
Mol2 Path
/TCM_database/2007_3d_all/06951.mol2
Reference
4508
Num Hdonors
2
Tcm Name En
Sweet-tongue Lippia*
Drug Likeness
0.755
Num Hacceptors
3
Isomeric Smiles
CC1=CC(=O)[C@H](CC1)[C@](C)(C/C=C/C(C)(C)O)O
Canonical Smiles
CC1=CC(=O)C(CC1)C(C)(CC=CC(C)(C)O)O
Herb Alias Names
(6R)-6-[(E,2S)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-methylcyclohex-2-en-1-one
Molecular Weight
252.170
Molecular Weight
252.35 g/mol
Molecular Formula
C15H24O3
Molecular Formula
C15H24O3
Molecular Formula
C15H24O3
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.681
Quantitative Estimate Of Drug Likeness（Qed）
0.755