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
- 4481
- Core Entity Id
- 8170
- Source Entity Count
- 1
- Preferred Name
- 3''-hydroxy-4-epi-larreatricin
- Name En
- Pubchem Id
- 14681580
- Smiles Canonical
- CC1C(C(OC1C2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)O)C
- Molecular Formula
- C18H20O4
- Molecular Weight
- 300.3540
- Inchikey
- HKSHEXWQPGOEAT-LWCUXCJMSA-N
- Inchi
- InChI=1S/C18H20O4/c1-10-11(2)18(13-5-8-15(20)16(21)9-13)22-17(10)12-3-6-14(19)7-4-12/h3-11,17-21H,1-2H3/t10-,11-,17-,18-/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H]([C@@H](O[C@H]1C2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8882
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3''-Hydroxy-4-epi-larreatricin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3''-hydroxy-4-epi-larreatricin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3''-hydroxy-4-epi-larreatricin
Role
preferred
Source
HERB_v2
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
HBIN008658
Npass
NPC72326
Tcmid
10076
Pub Chem
14681580
Tcmbank
TCMBANKIN046569
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H20O4/c1-10-11(2)18(13-5-8-15(20)16(21)9-13)22-17(10)12-3-6-14(19)7-4-12/h3-11,17-21H,1-2H3/t10-,11-,17-,18-/m1/s1
Mol Wt
300.354
Mol Log P
3.888200000000003
In Ch Ikey
HKSHEXWQPGOEAT-LWCUXCJMSA-N
Tcm Name
三齿拉瑞阿
Tcm Name2
SAN CHI LA RUI A
Mol2 Path
/TCM_database/2007_3d_all/10077.mol2
Reference
1521, 3850
Num Hdonors
3
Tcm Name En
Creosote-bush
Drug Likeness
0.736
Num Hacceptors
4
Isomeric Smiles
C[C@@H]1[C@H]([C@@H](O[C@H]1C2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)O)C
Canonical Smiles
CC1C(C(OC1C2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)O)C
Molecular Weight
300.3 g/mol
Molecular Formula
C18H20O4
Num Rotatable Bonds
2