Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36113
- Core Entity Id
- 43330
- Source Entity Count
- 1
- Preferred Name
- Ulmoprenol
- Name En
- Pubchem Id
- 5315119
- Smiles Canonical
- CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC(CO)C(=C)C)C)C)C)C)C
- Molecular Formula
- C30H50O
- Molecular Weight
- 426.7290
- Inchikey
- OMSQHPKNHFHAKB-NVRDDEHMSA-N
- Inchi
- InChI=1S/C30H50O/c1-24(2)13-9-14-26(5)15-10-16-27(6)17-11-18-28(7)19-12-20-29(8)21-22-30(23-31)25(3)4/h13,15,17,19,21,30-31H,3,9-12,14,16,18,20,22-23H2,1-2,4-8H3/b26-15+,27-17-,28-19-,29-21+
- Isomeric Smiles
- CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C/CC(CO)C(=C)C)/C)/C)/C)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 9.4333
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.2440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ulmoprenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ulmoprenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ulmoprenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ulmoprenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
ulmoprenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4E,8Z,12Z,16E)-5,9,13,17,21-pentamethyl-2-prop-1-en-2-yldocosa-4,8,12,16,20-pentaen-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSSOF
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4E,8Z,12Z,16E)-5,9,13,17,21-pentamethyl-2-prop-1-en-2-yldocosa-4,8,12,16,20-pentaen-1-olAC1NSSOF
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047488
Npass
NPC42999
Tcmid
22176
Sym Map
SMIT18119
Tcm Id
282
Pub Chem
5315119
Tcmbank
TCMBANKIN018045
Etcm Ingredient
Ulmoprenol
Itcmdb Generated
ITX-INGREDIENT-02FD80FF7D37
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H50O/c1-24(2)13-9-14-26(5)15-10-16-27(6)17-11-18-28(7)19-12-20-29(8)21-22-30(23-31)25(3)4/h13,15,17,19,21,30-31H,3,9-12,14,16,18,20,22-23H2,1-2,4-8H3/b26-15+,27-17-,28-19-,29-21+
Mol Wt
426.7290000000003
Smiles
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC(CO)C(=C)C)C)C)C)C)C
Mol Log P
9.4333
Version
v1,v2
In Ch Ikey
OMSQHPKNHFHAKB-NVRDDEHMSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.244
Num Hacceptors
1
Isomeric Smiles
CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C/CC(CO)C(=C)C)/C)/C)/C)/C)C
Canonical Smiles
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC(CO)C(=C)C)C)C)C)C)C
Molecular Weight
426.390
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.584
Quantitative Estimate Of Drug Likeness（Qed）
0.244