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
- 15879
- Core Entity Id
- 20818
- Source Entity Count
- 1
- Preferred Name
- Cycloneolitsol
- Name En
- Pubchem Id
- 101306728
- Smiles Canonical
- CC(CCC(C)(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
- Molecular Formula
- C32H54O
- Molecular Weight
- 454.7830
- Inchikey
- WWZTVIKABWJXIY-DAGDMFNQSA-N
- Inchi
- InChI=1S/C32H54O/c1-21(2)27(4,5)15-12-22(3)23-13-16-30(9)25-11-10-24-28(6,7)26(33)14-17-31(24)20-32(25,31)19-18-29(23,30)8/h22-26,33H,1,10-20H2,2-9H3/t22-,23-,24+,25+,26+,29-,30+,31-,32+/m1/s1
- Isomeric Smiles
- C[C@H](CCC(C)(C)C(=C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.8050
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cycloneolitsol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cycloneolitsol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cycloneolitsol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cycloneolitsol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
云南石仙桃
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN SHI XIAN TAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Pholidota
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南石仙桃YUN NAN SHI XIAN TAOYunnan Pholidota
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022311
Npass
NPC180231
Tcmid
4518
Pub Chem
101306728
Tcmbank
TCMBANKIN039276
Etcm Ingredient
Cycloneolitsol
Itcmdb Generated
ITX-INGREDIENT-ED1CE3A82611
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H54O/c1-21(2)27(4,5)15-12-22(3)23-13-16-30(9)25-11-10-24-28(6,7)26(33)14-17-31(24)20-32(25,31)19-18-29(23,30)8/h22-26,33H,1,10-20H2,2-9H3/t22-,23-,24+,25+,26+,29-,30+,31-,32+/m1/s1
Mol Wt
454.7830000000003
Mol Log P
8.805000000000003
In Ch Ikey
WWZTVIKABWJXIY-DAGDMFNQSA-N
Tcm Name
云南石仙桃
Tcm Name2
YUN NAN SHI XIAN TAO
Mol2 Path
/TCM_database/2007_3d_all/04519.mol2
Reference
4814
Num Hdonors
1
Tcm Name En
Yunnan Pholidota
Drug Likeness
0.411
Num Hacceptors
1
Isomeric Smiles
C[C@H](CCC(C)(C)C(=C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
Canonical Smiles
CC(CCC(C)(C)C(=C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
Molecular Weight
454.420
Molecular Weight
454.8 g/mol
Molecular Formula
C32H54O
Molecular Formula
C32H54O
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.915
Quantitative Estimate Of Drug Likeness（Qed）
0.411