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: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25506
- Core Entity Id
- 31544
- Source Entity Count
- 1
- Preferred Name
- Makisterone d
- Name En
- Pubchem Id
- 12312692
- Smiles Canonical
- CC(C)C(CC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)C(C)O
- Molecular Formula
- C29H48O7
- Molecular Weight
- 508.6960
- Inchikey
- FGBRCLVMUKRABR-ZDOCXERWSA-N
- Inchi
- InChI=1S/C29H48O7/c1-15(2)17(16(3)30)11-25(34)28(6,35)24-8-10-29(36)19-12-21(31)20-13-22(32)23(33)14-26(20,4)18(19)7-9-27(24,29)5/h12,15-18,20,22-25,30,32-36H,7-11,13-14H2,1-6H3/t16?,17?,18-,20-,22+,23-,24-,25+,26+,27+,28+,29+/m0/s1
- Isomeric Smiles
- CC(C)C(C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)C(C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3460
- Num H Donors
- 6
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Makisterone D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Makisterone d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Makisterone d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
makisterone d
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034301
Tcmid
13405
Pub Chem
12312692
Tcmbank
TCMBANKIN030431
Etcm Ingredient
Makisterone D
Itcmdb Generated
ITX-INGREDIENT-522E52050A5F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H48O7/c1-15(2)17(16(3)30)11-25(34)28(6,35)24-8-10-29(36)19-12-21(31)20-13-22(32)23(33)14-26(20,4)18(19)7-9-27(24,29)5/h12,15-18,20,22-25,30,32-36H,7-11,13-14H2,1-6H3/t16?,17?,18-,20-,22+,23-,24-,25+,26+,27+,28+,29+/m0/s1
Mol Wt
508.6960000000002
Smiles
CC(C)C(CC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)C(C)O
Mol Log P
2.346000000000002
In Ch Ikey
FGBRCLVMUKRABR-ZDOCXERWSA-N
Num Hdonors
6
Drug Likeness
0.324
Num Hacceptors
7
Isomeric Smiles
CC(C)C(C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)C(C)O
Canonical Smiles
CC(C)C(CC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)C(C)O
Molecular Weight
508.340
Molecular Weight
508.7 g/mol
Molecular Formula
C29H48O7
Molecular Formula
C29H48O7
Molecular Formula
C29H48O7
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.855
Quantitative Estimate Of Drug Likeness（Qed）
0.303