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
- 26689
- Core Entity Id
- 32856
- Source Entity Count
- 1
- Preferred Name
- Morusimicacid e
- Name En
- Pubchem Id
- 10885684
- Smiles Canonical
- C1CC(C(NC1CCCCCCCCCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O)CO)O
- Molecular Formula
- C24H45NO10
- Molecular Weight
- 507.6210
- Inchikey
- OAVANBAUUXSKIH-LGKKHPCTSA-N
- Inchi
- InChI=1S/C24H45NO10/c26-13-17-18(28)11-10-15(25-17)8-6-4-2-1-3-5-7-9-16(12-20(29)30)34-24-23(33)22(32)21(31)19(14-27)35-24/h15-19,21-28,31-33H,1-14H2,(H,29,30)/t15-,16-,17+,18-,19-,21-,22+,23-,24-/m1/s1
- Isomeric Smiles
- C1C[C@H]([C@@H](N[C@@H]1CCCCCCCCC[C@H](CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O
- Cas Id
- Ob Score
- Mol Logp
- -0.3691
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.1270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Morusimicacid E
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Morusimicacid e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Morusimicacid e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
morusimicacid e
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035789
Npass
NPC302555
Tcmid
14985
Sym Map
SMIT25505
Pub Chem
10885684
Tcmbank
TCMBANKIN016801
Itcmdb Generated
ITX-INGREDIENT-50BD12ABD3CE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H45NO10/c26-13-17-18(28)11-10-15(25-17)8-6-4-2-1-3-5-7-9-16(12-20(29)30)34-24-23(33)22(32)21(31)19(14-27)35-24/h15-19,21-28,31-33H,1-14H2,(H,29,30)/t15-,16-,17+,18-,19-,21-,22+,23-,24-/m1/s1
Mol Wt
507.6210000000001
Smiles
C1CC(C(NC1CCCCCCCCCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O)CO)O
Mol Log P
-0.3690999999999975
Version
v2
In Ch Ikey
OAVANBAUUXSKIH-LGKKHPCTSA-N
Suppress
0
Num Hdonors
8
Drug Likeness
0.127
Num Hacceptors
10
Isomeric Smiles
C1C[C@H]([C@@H](N[C@@H]1CCCCCCCCC[C@H](CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O
Canonical Smiles
C1CC(C(NC1CCCCCCCCCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O)CO)O
Molecular Weight
507.6 g/mol
Molecular Formula
C24H45NO10
Molecular Formula
C24H45NO10
Num Rotatable Bonds
16