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
- 17771
- Core Entity Id
- 22925
- Source Entity Count
- 1
- Preferred Name
- (e)-4,4'-dihydroxy-7,7'-dioxolign-8(8')-ene
- Name En
- Pubchem Id
- 11197216
- Smiles Canonical
- CC(=C(C)C(=O)C1=CC=C(C=C1)O)C(=O)C2=CC=C(C=C2)O
- Molecular Formula
- C18H16O4
- Molecular Weight
- 296.3220
- Inchikey
- MEZXYSSUYJRMBP-VAWYXSNFSA-N
- Inchi
- InChI=1S/C18H16O4/c1-11(17(21)13-3-7-15(19)8-4-13)12(2)18(22)14-5-9-16(20)10-6-14/h3-10,19-20H,1-2H3/b12-11+
- Isomeric Smiles
- C/C(=C(/C)\C(=O)C1=CC=C(C=C1)O)/C(=O)C2=CC=C(C=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 3.4998
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-4,4'-Dihydroxy-7,7'-dioxolign-8(8')-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(e)-4,4'-dihydroxy-7,7'-dioxolign-8(8')-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(e)-4,4'-dihydroxy-7,7'-dioxolign-8(8')-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
三齿拉瑞阿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SAN CHI LA RUI A
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Creosote-bush
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
三齿拉瑞阿SAN CHI LA RUI ACreosote-bush
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024707
Tcmid
5863
Pub Chem
11197216
Tcmbank
TCMBANKIN012952
Itcmdb Generated
ITX-INGREDIENT-8E2635BD132C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O4/c1-11(17(21)13-3-7-15(19)8-4-13)12(2)18(22)14-5-9-16(20)10-6-14/h3-10,19-20H,1-2H3/b12-11+
Mol Wt
296.322
Mol Log P
3.499800000000003
In Ch Ikey
MEZXYSSUYJRMBP-VAWYXSNFSA-N
Tcm Name
三齿拉瑞阿
Tcm Name2
SAN CHI LA RUI A
Mol2 Path
/TCM_database/2007_3d_all/05864.mol2
Reference
3850
Num Hdonors
2
Tcm Name En
Creosote-bush
Drug Likeness
0.669
Num Hacceptors
4
Isomeric Smiles
C/C(=C(/C)\C(=O)C1=CC=C(C=C1)O)/C(=O)C2=CC=C(C=C2)O
Canonical Smiles
CC(=C(C)C(=O)C1=CC=C(C=C1)O)C(=O)C2=CC=C(C=C2)O
Molecular Formula
C18H16O4
Num Rotatable Bonds
4