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
- 34197
- Core Entity Id
- 41206
- Source Entity Count
- 1
- Preferred Name
- Sugikurojin h
- Name En
- Pubchem Id
- 11584453
- Smiles Canonical
- CC(C)C1CCC(C2(C1C=C(CC2)CC3CC4C(CCCC4(C5=CC(=C(C=C35)C(C)C)O)C)(C)C)O)(C)O
- Molecular Formula
- C35H54O3
- Molecular Weight
- 522.8140
- Inchikey
- FOWUQUQIDYYMAT-TUGUJQRKSA-N
- Inchi
- InChI=1S/C35H54O3/c1-21(2)25-11-14-34(8,37)35(38)15-10-23(17-29(25)35)16-24-18-31-32(5,6)12-9-13-33(31,7)28-20-30(36)26(22(3)4)19-27(24)28/h17,19-22,24-25,29,31,36-38H,9-16,18H2,1-8H3/t24-,25+,29+,31+,33-,34+,35+/m1/s1
- Isomeric Smiles
- CC(C)[C@@H]1CC[C@]([C@]2([C@H]1C=C(CC2)C[C@@H]3C[C@@H]4[C@](CCCC4(C)C)(C5=CC(=C(C=C35)C(C)C)O)C)O)(C)O
- Cas Id
- Ob Score
- Mol Logp
- 8.3615
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sugikurojin H
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sugikurojin H
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sugikurojin h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sugikurojin h
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
HBIN045114
Npass
NPC23581
Tcmid
20448
Pub Chem
11584453
Tcmbank
TCMBANKIN049576
Etcm Ingredient
Sugikurojin H
Itcmdb Generated
ITX-INGREDIENT-CBCCD3AF5D7F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C35H54O3/c1-21(2)25-11-14-34(8,37)35(38)15-10-23(17-29(25)35)16-24-18-31-32(5,6)12-9-13-33(31,7)28-20-30(36)26(22(3)4)19-27(24)28/h17,19-22,24-25,29,31,36-38H,9-16,18H2,1-8H3/t24-,25+,29+,31+,33-,34+,35+/m1/s1
Mol Wt
522.8140000000003
Mol Log P
8.361500000000003
In Ch Ikey
FOWUQUQIDYYMAT-TUGUJQRKSA-N
Tcm Name
日本柳杉
Tcm Name2
RI BEN LIU SHAN
Mol2 Path
/TCM_database/2007_3d_all/20464.mol2
Reference
1710
Num Hdonors
3
Tcm Name En
Japanese Cedar
Drug Likeness
0.348
Num Hacceptors
3
Isomeric Smiles
CC(C)[C@@H]1CC[C@]([C@]2([C@H]1C=C(CC2)C[C@@H]3C[C@@H]4[C@](CCCC4(C)C)(C5=CC(=C(C=C35)C(C)C)O)C)O)(C)O
Canonical Smiles
CC(C)C1CCC(C2(C1C=C(CC2)CC3CC4C(CCCC4(C5=CC(=C(C=C35)C(C)C)O)C)(C)C)O)(C)O
Molecular Weight
522.410
Molecular Weight
522.8 g/mol
Molecular Formula
C35H54O3
Molecular Formula
C35H54O3
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.934
Quantitative Estimate Of Drug Likeness（Qed）
0.348