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: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 862
- Core Entity Id
- 4151
- Source Entity Count
- 1
- Preferred Name
- 24-methylcycloartanol ferulate
- Name En
- Pubchem Id
- 5319569
- Smiles Canonical
- CC(C)C(C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C
- Molecular Formula
- C41H62O4
- Molecular Weight
- 618.9430
- Inchikey
- HCOPZFJKHMGVNO-QFXGFJQRSA-N
- Inchi
- InChI=1S/C41H62O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26-28,30,33-35,42H,10-11,15-16,18-23,25H2,1-9H3/b17-13-/t27?,28?,30?,33?,34?,35-,38+,39?,40+,41-/m0/s1
- Isomeric Smiles
- CC(C)C(C)CCC(C)C1CCC2([C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C\C6=CC(=C(C=C6)O)OC)C)C
- Cas Id
- Ob Score
- Mol Logp
- 10.4733
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
24-Methylcycloartanol ferulate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
24-methylcycloartanol ferulate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
24-methylcycloartanol ferulate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
24-methylcycloartanol ferulate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004452
Npass
NPC17450
Tcmid
14260
Pub Chem
5319569
Tcmbank
TCMBANKIN001591
Etcm Ingredient
24-Methylcycloartanol ferulate
Itcmdb Generated
ITX-INGREDIENT-D4345F29FA1A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C41H62O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26-28,30,33-35,42H,10-11,15-16,18-23,25H2,1-9H3/b17-13-/t27?,28?,30?,33?,34?,35-,38+,39?,40+,41-/m0/s1
Mol Wt
618.9430000000004
Smiles
CC(C)C(C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C
Mol Log P
10.47329999999999
In Ch Ikey
HCOPZFJKHMGVNO-QFXGFJQRSA-N
Num Hdonors
1
Drug Likeness
0.221
Num Hacceptors
4
Isomeric Smiles
CC(C)C(C)CCC(C)C1CCC2([C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C\C6=CC(=C(C=C6)O)OC)C)C
Canonical Smiles
CC(C)C(C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C
Molecular Weight
618.460
Molecular Formula
C41H62O4
Molecular Formula
C41H62O4
Molecular Formula
C41H62O4
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.584
Quantitative Estimate Of Drug Likeness（Qed）
0.221