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
- 34194
- Core Entity Id
- 41202
- Source Entity Count
- 1
- Preferred Name
- Sugikurojin e
- Name En
- Pubchem Id
- 11624685
- Smiles Canonical
- CC(C)C1=C(C=C2C(=C1)C(C(C3C2(CCCC3(C)C)C)OC(=O)C)O)O
- Molecular Formula
- C22H32O4
- Molecular Weight
- 360.4940
- Inchikey
- AMKZEPMOTWRTSJ-FCIYXJNOSA-N
- Inchi
- InChI=1S/C22H32O4/c1-12(2)14-10-15-16(11-17(14)24)22(6)9-7-8-21(4,5)20(22)19(18(15)25)26-13(3)23/h10-12,18-20,24-25H,7-9H2,1-6H3/t18-,19+,20+,22-/m1/s1
- Isomeric Smiles
- CC(C)C1=C(C=C2C(=C1)[C@H]([C@@H]([C@@H]3[C@@]2(CCCC3(C)C)C)OC(=O)C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.5783
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sugikurojin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sugikurojin E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sugikurojin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sugikurojin e
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
Name
886448-93-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
886448-93-7
Role
alias
Source
HERB_v2
Preferred
No
Name
[(4bS,8aS,9R,10R)-3,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(4bS,8aS,9R,10R)-3,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Acetoxy-7beta,12-dihydroxy-8,11,13-abietatriene
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Acetoxy-7beta,12-dihydroxy-8,11,13-abietatriene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本柳杉RI BEN LIU SHANJapanese Cedar886448-93-7[(4bS,8aS,9R,10R)-3,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] acetatealpha-Acetoxy-7beta,12-dihydroxy-8,11,13-abietatriene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045111
Npass
NPC307323
Tcmid
20445
Pub Chem
11624685
Tcmbank
TCMBANKIN049219
Etcm Ingredient
Sugikurojin E
Itcmdb Generated
ITX-INGREDIENT-C31CB87B44F9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H32O4/c1-12(2)14-10-15-16(11-17(14)24)22(6)9-7-8-21(4,5)20(22)19(18(15)25)26-13(3)23/h10-12,18-20,24-25H,7-9H2,1-6H3/t18-,19+,20+,22-/m1/s1
Mol Wt
360.494
Mol Log P
4.578300000000006
In Ch Ikey
AMKZEPMOTWRTSJ-FCIYXJNOSA-N
Tcm Name
日本柳杉
Tcm Name2
RI BEN LIU SHAN
Mol2 Path
/TCM_database/2007_3d_all/20461.mol2
Reference
1710
Num Hdonors
2
Tcm Name En
Japanese Cedar
Drug Likeness
0.758
Num Hacceptors
4
Isomeric Smiles
CC(C)C1=C(C=C2C(=C1)[C@H]([C@@H]([C@@H]3[C@@]2(CCCC3(C)C)C)OC(=O)C)O)O
Canonical Smiles
CC(C)C1=C(C=C2C(=C1)C(C(C3C2(CCCC3(C)C)C)OC(=O)C)O)O
Herb Alias Names
[(4bS,8aS,9R,10R)-3,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] acetate((4bS,8aS,9R,10R)-3,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl) acetatealpha-Acetoxy-7beta,12-dihydroxy-8,11,13-abietatriene886448-93-7
Molecular Weight
360.230
Molecular Weight
360.5 g/mol
Molecular Formula
C22H32O4
Molecular Formula
C22H32O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.881
Quantitative Estimate Of Drug Likeness（Qed）
0.758