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
- 27944
- Core Entity Id
- 34246
- Source Entity Count
- 1
- Preferred Name
- Norstamonol b
- Name En
- Pubchem Id
- 101180848
- Smiles Canonical
- CC(=O)OC1CC2C(C(C(C(C2(C3C1(OC4(C(C3OC(=O)C5=CC=CC=C5)C(CO4)OC(=O)C)C)O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)O)(C)C
- Molecular Formula
- C39H46O14
- Molecular Weight
- 738.7830
- Inchikey
- DSEMPJSEBYXTKS-HFUSNMKISA-N
- Inchi
- InChI=1S/C39H46O14/c1-20(40)48-25-19-47-38(7)28(25)29(51-34(44)23-14-10-8-11-15-23)31-37(6)26(18-27(49-21(2)41)39(31,46)53-38)36(4,5)32(43)30(50-22(3)42)33(37)52-35(45)24-16-12-9-13-17-24/h8-17,25-33,43,46H,18-19H2,1-7H3/t25-,26+,27-,28+,29-,30+,31-,32-,33+,37+,38-,39+/m1/s1
- Isomeric Smiles
- CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@@H]3[C@]1(O[C@@]4([C@H]([C@H]3OC(=O)C5=CC=CC=C5)[C@@H](CO4)OC(=O)C)C)O)([C@H]([C@H]([C@H](C2(C)C)O)OC(=O)C)OC(=O)C6=CC=CC=C6)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3572
- Num H Donors
- 2
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.3110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Norstamonol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Norstamonol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
norstamonol B
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037384
Npass
NPC120863
Tcmid
37522
Pub Chem
101180848
Tcmbank
TCMBANKIN011621
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C39H46O14/c1-20(40)48-25-19-47-38(7)28(25)29(51-34(44)23-14-10-8-11-15-23)31-37(6)26(18-27(49-21(2)41)39(31,46)53-38)36(4,5)32(43)30(50-22(3)42)33(37)52-35(45)24-16-12-9-13-17-24/h8-17,25-33,43,46H,18-19H2,1-7H3/t25-,26+,27-,28+,29-,30+,31-,32-,33+,37+,38-,39+/m1/s1
Mol Wt
738.7830000000002
Smiles
CC(=O)OC1CC2C(C(C(C(C2(C3C1(OC4(C(C3OC(=O)C5=CC=CC=C5)C(CO4)OC(=O)C)C)O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)O)(C)C
Mol Log P
3.357200000000002
In Ch Ikey
DSEMPJSEBYXTKS-HFUSNMKISA-N
Num Hdonors
2
Drug Likeness
0.311
Num Hacceptors
14
Isomeric Smiles
CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@@H]3[C@]1(O[C@@]4([C@H]([C@H]3OC(=O)C5=CC=CC=C5)[C@@H](CO4)OC(=O)C)C)O)([C@H]([C@H]([C@H](C2(C)C)O)OC(=O)C)OC(=O)C6=CC=CC=C6)C
Canonical Smiles
CC(=O)OC1CC2C(C(C(C(C2(C3C1(OC4(C(C3OC(=O)C5=CC=CC=C5)C(CO4)OC(=O)C)C)O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)O)(C)C
Molecular Formula
C39H46O14
Molecular Formula
C39H46O14
Num Rotatable Bonds
7