Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21663
- Core Entity Id
- 27264
- Source Entity Count
- 1
- Preferred Name
- Howiinol a
- Name En
- Pubchem Id
- 6440329
- Smiles Canonical
- C1=CC=C(C=C1)C=CC(=O)OC(C2=CC=CC=C2)C(C3C(C=CC(=O)O3)O)O
- Molecular Formula
- C22H20O6
- Molecular Weight
- 380.3960
- Inchikey
- HCJURVKKVSCZRL-VTWBULIDSA-N
- Inchi
- InChI=1S/C22H20O6/c23-17-12-14-19(25)28-22(17)20(26)21(16-9-5-2-6-10-16)27-18(24)13-11-15-7-3-1-4-8-15/h1-14,17,20-23,26H/b13-11+/t17-,20+,21+,22+/m0/s1
- Isomeric Smiles
- C1=CC=C(C=C1)/C=C/C(=O)O[C@H](C2=CC=CC=C2)[C@H]([C@H]3[C@H](C=CC(=O)O3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1877
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Howiinol A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Howiinol a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Howiinol a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
海南哥纳香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI NAN GE NA XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hainan Goniothalamus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
190848-69-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
190848-69-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1170578
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1170578
Role
alias
Source
HERB_v2
Preferred
No
Name
D-xylo-Hept-2-enonic acid, 2,3-dideoxy-7-C-phenyl-, delta-lactone, 7-((2E)-3-phenyl-2-propenoate), (7R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
D-xylo-Hept-2-enonic acid, 2,3-dideoxy-7-C-phenyl-, delta-lactone, 7-((2E)-3-phenyl-2-propenoate), (7R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
GHM-10 cpd
Role
alias
Source
itcmdb_public
Preferred
No
Name
GHM-10 cpd
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
海南哥纳香HAI NAN GE NA XIANGHainan Goniothalamus190848-69-2CHEMBL1170578D-xylo-Hept-2-enonic acid, 2,3-dideoxy-7-C-phenyl-, delta-lactone, 7-((2E)-3-phenyl-2-propenoate), (7R)-GHM-10 cpd[(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029576
Npass
NPC265002
Tcmid
311209654
Pub Chem
6440329
Tcmbank
TCMBANKIN031312
Itcmdb Generated
ITX-INGREDIENT-5B3564747614
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H20O6/c23-17-12-14-19(25)28-22(17)20(26)21(16-9-5-2-6-10-16)27-18(24)13-11-15-7-3-1-4-8-15/h1-14,17,20-23,26H/b13-11+/t17-,20+,21+,22+/m0/s1
Mol Wt
380.3960000000001
Mol Log P
2.1877
In Ch Ikey
HCJURVKKVSCZRL-VTWBULIDSA-N
Tcm Name
海南哥纳香
Tcm Name2
HAI NAN GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/09655.mol2
Reference
410, 1620, 2442
Num Hdonors
2
Tcm Name En
Hainan Goniothalamus
Drug Likeness
0.589
Num Hacceptors
6
Isomeric Smiles
C1=CC=C(C=C1)/C=C/C(=O)O[C@H](C2=CC=CC=C2)[C@H]([C@H]3[C@H](C=CC(=O)O3)O)O
Canonical Smiles
C1=CC=C(C=C1)C=CC(=O)OC(C2=CC=CC=C2)C(C3C(C=CC(=O)O3)O)O
Herb Alias Names
190848-69-2[(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoateGHM-10 cpdCHEMBL1170578D-xylo-Hept-2-enonic acid, 2,3-dideoxy-7-C-phenyl-, delta-lactone, 7-((2E)-3-phenyl-2-propenoate), (7R)-
Molecular Formula
C22H20O6
Num Rotatable Bonds
6