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
- 8996
- Core Entity Id
- 13166
- Source Entity Count
- 1
- Preferred Name
- (8s,8's)-(+)-8-hydroxy-oxomatairesinol
- Name En
- Pubchem Id
- 101057081
- Smiles Canonical
- COC1=C(C=CC(=C1)CC2(C(COC2=O)C(=O)C3=CC(=C(C=C3)O)OC)O)O
- Molecular Formula
- C20H20O8
- Molecular Weight
- 388.3720
- Inchikey
- GNCVOJWWQQUYKO-XCLFUZPHSA-N
- Inchi
- InChI=1S/C20H20O8/c1-26-16-7-11(3-5-14(16)21)9-20(25)13(10-28-19(20)24)18(23)12-4-6-15(22)17(8-12)27-2/h3-8,13,21-22,25H,9-10H2,1-2H3/t13-,20+/m1/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)C[C@@]2([C@H](COC2=O)C(=O)C3=CC(=C(C=C3)O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4445
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(8S,8'S)-(+)-8-Hydroxy-oxomatairesinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(8S,8'S)-(+)-8-Hydroxy-oxomatairesinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(8s,8's)-(+)-8-hydroxy-oxomatairesinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(8s,8's)-(+)-8-hydroxy-oxomatairesinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
异叶铁杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI YE TIE SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Western Hemlock
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
异叶铁杉YI YE TIE SHANWestern Hemlock
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013899
Tcmid
10573
Pub Chem
101057081
Tcmbank
TCMBANKIN049881
Etcm Ingredient
(8S,8'S)-(+)-8-Hydroxy-oxomatairesinol
Itcmdb Generated
ITX-INGREDIENT-9FC58A7E1C70
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O8/c1-26-16-7-11(3-5-14(16)21)9-20(25)13(10-28-19(20)24)18(23)12-4-6-15(22)17(8-12)27-2/h3-8,13,21-22,25H,9-10H2,1-2H3/t13-,20+/m1/s1
Mol Wt
388.3720000000001
Mol Log P
1.444499999999999
In Ch Ikey
GNCVOJWWQQUYKO-XCLFUZPHSA-N
Tcm Name
异叶铁杉
Tcm Name2
YI YE TIE SHAN
Mol2 Path
/TCM_database/2007_3d_all/10574.mol2
Reference
3965
Num Hdonors
3
Tcm Name En
Western Hemlock
Drug Likeness
0.502
Num Hacceptors
8
Isomeric Smiles
COC1=C(C=CC(=C1)C[C@@]2([C@H](COC2=O)C(=O)C3=CC(=C(C=C3)O)OC)O)O
Canonical Smiles
COC1=C(C=CC(=C1)CC2(C(COC2=O)C(=O)C3=CC(=C(C=C3)O)OC)O)O
Molecular Weight
388.120
Molecular Formula
C20H20O8
Molecular Formula
C20H20O8
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.502