Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19353
- Core Entity Id
- 24691
- Source Entity Count
- 1
- Preferred Name
- Formosaninol
- Name En
- Pubchem Id
- 10722301
- Smiles Canonical
- CC(C)C1=C(C=C2C(=C1)C3C(C4C2(CCCC4(C)C)C)OC5C(O3)C6C(CCCC6(C7=CC(=C(C=C57)C(C)C)O)C)(C)C)O
- Molecular Formula
- C40H56O4
- Molecular Weight
- 600.8840
- Inchikey
- JZYNFCPCWFSNOL-XXOXUEAOSA-N
- Inchi
- InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32-,33+,34+,35+,36+,39-,40-/m1/s1
- Isomeric Smiles
- CC(C)C1=C(C=C2C(=C1)[C@@H]3[C@@H]([C@@H]4[C@@]2(CCCC4(C)C)C)O[C@H]5[C@H](O3)[C@@H]6[C@](CCCC6(C)C)(C7=CC(=C(C=C57)C(C)C)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 10.1062
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Formosaninol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Formosaninol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Formosaninol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Formosaninol
Role
preferred
Source
TCMBank
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
Sugikurojin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sugikurojin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sugikurojin c
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
日本柳杉RI BEN LIU SHANJapanese CedarSugikurojin C
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026674HBIN045109
Npass
NPC96768NPC48898
Tcmid
789220443
Pub Chem
10722301101334078
Tcmbank
TCMBANKIN046065TCMBANKIN043593
Etcm Ingredient
FormosaninolSugikurojin C
Itcmdb Generated
ITX-INGREDIENT-A24D90A3ED98ITX-INGREDIENT-95A7FBC607A4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32-,33+,34+,35+,36+,39-,40-/m1/s1
Mol Wt
600.8840000000004
Smiles
CC(C)C1=C(C=C2C(=C1)C3C(C4C2(CCCC4(C)C)C)OC5C(O3)C6C(CCCC6(C7=CC(=C(C=C57)C(C)C)O)C)(C)C)O
Mol Log P
10.10619999999999
In Ch Ikey
JZYNFCPCWFSNOL-XXOXUEAOSA-N
Tcm Name
日本柳杉
Tcm Name2
RI BEN LIU SHAN
Mol2 Path
/TCM_database/2007_3d_all/07893.mol2
Reference
4268
Num Hdonors
2
Tcm Name En
Japanese Cedar
Drug Likeness
0.36
Num Hacceptors
4
Isomeric Smiles
CC(C)C1=C(C=C2C(=C1)[C@@H]3[C@@H]([C@@H]4[C@@]2(CCCC4(C)C)C)O[C@H]5[C@H](O3)[C@@H]6[C@](CCCC6(C)C)(C7=CC(=C(C=C57)C(C)C)O)C)O
Canonical Smiles
CC(C)C1=C(C=C2C(=C1)C3C(C4C2(CCCC4(C)C)C)OC5C(O3)C6C(CCCC6(C7=CC(=C(C=C57)C(C)C)O)C)(C)C)O
Molecular Weight
600.420
Molecular Weight
600.9 g/mol
Molecular Formula
C40H56O4
Molecular Formula
C40H56O4
Molecular Formula
C40H56O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.962
Quantitative Estimate Of Drug Likeness（Qed）
0.360