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
- 3313
- Core Entity Id
- 6868
- Source Entity Count
- 1
- Preferred Name
- 3,4-dehydrolarreatricin
- Name En
- Pubchem Id
- 25775479
- Smiles Canonical
- CC1=C(C(OC1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
- Molecular Formula
- C18H18O3
- Molecular Weight
- 282.3390
- Inchikey
- QLSUUELDMMCCEI-ROUUACIJSA-N
- Inchi
- InChI=1S/C18H18O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-10,17-20H,1-2H3/t17-,18-/m0/s1
- Isomeric Smiles
- CC1=C([C@H](O[C@@H]1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.2468
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,4-Dehydrolarreatricin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,4-dehydrolarreatricin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,4-dehydrolarreatricin
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
HBIN007330
Npass
NPC136531
Tcmid
4939
Pub Chem
25775479
Tcmbank
TCMBANKIN042016
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H18O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-10,17-20H,1-2H3/t17-,18-/m0/s1
Mol Wt
282.339
Mol Log P
4.246800000000002
In Ch Ikey
QLSUUELDMMCCEI-ROUUACIJSA-N
Tcm Name
三齿拉瑞阿
Tcm Name2
SAN CHI LA RUI A
Mol2 Path
/TCM_database/2007_3d_all/04940.mol2
Reference
1521, 3850
Num Hdonors
2
Tcm Name En
Creosote-bush
Drug Likeness
0.81
Num Hacceptors
3
Isomeric Smiles
CC1=C([C@H](O[C@@H]1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
Canonical Smiles
CC1=C(C(OC1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C
Molecular Weight
282.3 g/mol
Molecular Formula
C18H18O3
Num Rotatable Bonds
2