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
- 21486
- Core Entity Id
- 27067
- Source Entity Count
- 1
- Preferred Name
- Hibicuslide a
- Name En
- Pubchem Id
- 11277992
- Smiles Canonical
- CC1COC2=C(C(=O)C(C3=C(C=CC1=C32)C)(CC(=O)C)O)C
- Molecular Formula
- C18H20O4
- Molecular Weight
- 300.3540
- Inchikey
- UTWJVJSYBONGHX-MLCYQJTMSA-N
- Inchi
- InChI=1S/C18H20O4/c1-9-5-6-13-10(2)8-22-16-12(4)17(20)18(21,7-11(3)19)15(9)14(13)16/h5-6,10,21H,7-8H2,1-4H3/t10-,18-/m1/s1
- Isomeric Smiles
- C[C@@H]1COC2=C(C(=O)[C@](C3=C(C=CC1=C32)C)(CC(=O)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.6091
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.9120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hibicuslide A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hibicuslide A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hibicuslide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hibicuslide a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
台湾芙蓉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN FU RONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Taiwan Hibiscus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾芙蓉TAI WAN FU RONGTaiwan Hibiscus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029371
Tcmid
95359536
Pub Chem
11277992
Tcmbank
TCMBANKIN024277
Etcm Ingredient
Hibicuslide A
Itcmdb Generated
ITX-INGREDIENT-9CCA662E9168ITX-INGREDIENT-FBF8736CD299
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H20O4/c1-9-5-6-13-10(2)8-22-16-12(4)17(20)18(21,7-11(3)19)15(9)14(13)16/h5-6,10,21H,7-8H2,1-4H3/t10-,18-/m1/s1
Mol Wt
300.354
Mol Log P
2.609120000000001
In Ch Ikey
UTWJVJSYBONGHX-MLCYQJTMSA-N
Tcm Name
台湾芙蓉
Tcm Name2
TAI WAN FU RONG
Mol2 Path
/TCM_database/2007_3d_all/09536.mol2
Reference
2529
Num Hdonors
1
Tcm Name En
Taiwan Hibiscus
Drug Likeness
0.912
Num Hacceptors
4
Isomeric Smiles
C[C@@H]1COC2=C(C(=O)[C@](C3=C(C=CC1=C32)C)(CC(=O)C)O)C
Canonical Smiles
CC1COC2=C(C(=O)C(C3=C(C=CC1=C32)C)(CC(=O)C)O)C
Molecular Weight
300.140
Molecular Formula
C18H20O4
Molecular Formula
C18H20O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.929
Quantitative Estimate Of Drug Likeness（Qed）
0.912