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
- 39118
- Core Entity Id
- 70864
- Source Entity Count
- 1
- Preferred Name
- 1,8-epoxy-1(6),2,4,7,10-bisabolapentaen-4-ol
- Name En
- Pubchem Id
- 10398970
- Smiles Canonical
- CC1=CC2=C(C=C1O)C(=C(O2)CC=C(C)C)C
- Molecular Formula
- C15H18O2
- Molecular Weight
- 230.3070
- Inchikey
- BVWSXPXKZJKORS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H18O2/c1-9(2)5-6-14-11(4)12-8-13(16)10(3)7-15(12)17-14/h5,7-8,16H,6H2,1-4H3
- Isomeric Smiles
- CC1=CC2=C(C=C1O)C(=C(O2)CC=C(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.2639
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,8-Epoxy-1(6),2,4,7,10-bisabolapentaen-4-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,8-Epoxy-1(6),2,4,7,10-bisabolapentaen-4-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,8-epoxy-1(6),2,4,7,10-bisabolapentaen-4-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,8-epoxy-1(6),2,4,7,10-bisabolapentaen-4-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
日本柳杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN LIU SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Cedar
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本柳杉RI BEN LIU SHANJapanese Cedar
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002126
Npass
NPC25769
Tcmid
7058
Pub Chem
10398970
Tcmbank
TCMBANKIN037110
Etcm Ingredient
1,8-Epoxy-1(6),2,4,7,10-bisabolapentaen-4-ol
Itcmdb Generated
ITX-INGREDIENT-72026FCD9AED
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O2/c1-9(2)5-6-14-11(4)12-8-13(16)10(3)7-15(12)17-14/h5,7-8,16H,6H2,1-4H3
Mol Wt
230.307
Mol Log P
4.263940000000003
In Ch Ikey
BVWSXPXKZJKORS-UHFFFAOYSA-N
Tcm Name
日本柳杉
Tcm Name2
RI BEN LIU SHAN
Mol2 Path
/TCM_database/2007_3d_all/07059.mol2
Reference
4279
Num Hdonors
1
Tcm Name En
Japanese Cedar
Drug Likeness
0.782
Num Hacceptors
2
Isomeric Smiles
CC1=CC2=C(C=C1O)C(=C(O2)CC=C(C)C)C
Canonical Smiles
CC1=CC2=C(C=C1O)C(=C(O2)CC=C(C)C)C
Molecular Weight
230.130
Molecular Formula
C15H18O2
Molecular Formula
C15H18O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.839
Quantitative Estimate Of Drug Likeness（Qed）
0.782