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
- 37540
- Core Entity Id
- 56439
- Source Entity Count
- 1
- Preferred Name
- (?)-(10s)-ligulacephalin c
- Name En
- Pubchem Id
- 11662017
- Smiles Canonical
- CC1(CCC(=C)C2=C1C3=CC(=C(C=C3O2)OC)OC)C4=CC5=CC(=C(C=C5O4)OC)OC
- Molecular Formula
- C26H26O6
- Molecular Weight
- 434.4880
- Inchikey
- UYFWZQOVYGPJFE-SANMLTNESA-N
- Inchi
- InChI=1S/C26H26O6/c1-14-7-8-26(2,23-10-15-9-19(27-3)21(29-5)12-17(15)31-23)24-16-11-20(28-4)22(30-6)13-18(16)32-25(14)24/h9-13H,1,7-8H2,2-6H3/t26-/m0/s1
- Isomeric Smiles
- C[C@]1(CCC(=C)C2=C1C3=CC(=C(C=C3O2)OC)OC)C4=CC5=CC(=C(C=C5O4)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 6.3264
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-(10S)-Ligulacephalin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(?)-(10s)-ligulacephalin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(?)-(10s)-ligulacephalin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
窄头橐吾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHAI TOU TUO WU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Narrowhead Goldenray
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-(10S)-Ligulacephalin C窄头橐吾ZHAI TOU TUO WUNarrowhead Goldenray
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000202
Tcmid
12805
Pub Chem
11662017
Tcmbank
TCMBANKIN010252
Itcmdb Generated
ITX-INGREDIENT-95F54ECFB295
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H26O6/c1-14-7-8-26(2,23-10-15-9-19(27-3)21(29-5)12-17(15)31-23)24-16-11-20(28-4)22(30-6)13-18(16)32-25(14)24/h9-13H,1,7-8H2,2-6H3/t26-/m0/s1
Mol Wt
434.4880000000002
Mol Log P
6.326400000000005
In Ch Ikey
UYFWZQOVYGPJFE-SANMLTNESA-N
Tcm Name
窄头橐吾
Tcm Name2
ZHAI TOU TUO WU
Mol2 Path
/TCM_database/2007_3d_all/12810.mol2
Reference
4536
Num Hdonors
0
Tcm Name En
Narrowhead Goldenray
Drug Likeness
0.366
Num Hacceptors
6
Isomeric Smiles
C[C@]1(CCC(=C)C2=C1C3=CC(=C(C=C3O2)OC)OC)C4=CC5=CC(=C(C=C5O4)OC)OC
Canonical Smiles
CC1(CCC(=C)C2=C1C3=CC(=C(C=C3O2)OC)OC)C4=CC5=CC(=C(C=C5O4)OC)OC
Molecular Formula
C26H26O6
Num Rotatable Bonds
5